#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008853.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2008853
loop_
_publ_author_name
'Falshaw, Andrew'
'Gainsford, Graeme J.'
'Lensink, Cornelis'
_publ_section_title
;
1-D-1,2:5,6-Di-O-isopropylidene-3-O-(diphenylphosphinoyl)-chiro-inositol,
a hydrogen-bonded dimeric structure.
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1353
_journal_page_last               1355
_journal_volume                  55
_journal_year                    1999
_chemical_formula_sum            'C24 H29 O7 P'
_chemical_formula_weight         460.44
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                111.67(2)
_cell_angle_beta                 107.02(2)
_cell_angle_gamma                99.25(2)
_cell_formula_units_Z            2
_cell_length_a                   9.556(3)
_cell_length_b                   11.007(3)
_cell_length_c                   12.713(4)
_cell_measurement_temperature    158(2)
_cell_volume                     1132.6(6)
_diffrn_ambient_temperature      158(2)
_exptl_crystal_density_diffrn    1.350
_refine_ls_R_factor_obs          0.068
_refine_ls_wR_factor_obs         0.161
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (10
times).

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (120 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2008853
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
P1 0.0251(14) 0.0270(13) 0.0238(11) 0.0080(11) 0.0107(10) 0.0143(10)
O1 0.033(4) 0.033(3) 0.024(3) 0.017(3) 0.013(3) 0.017(2)
C1 0.025(5) 0.029(5) 0.028(4) 0.011(4) 0.012(4) 0.015(4)
O2 0.029(4) 0.033(3) 0.027(3) 0.009(3) 0.010(3) 0.013(3)
C2 0.024(5) 0.023(4) 0.019(4) 0.011(4) 0.013(4) 0.010(4)
O3 0.030(4) 0.037(3) 0.035(3) 0.019(3) 0.014(3) 0.021(3)
C3 0.019(5) 0.022(4) 0.027(4) 0.006(4) 0.003(4) 0.012(4)
O4 0.036(4) 0.058(4) 0.033(3) 0.029(3) 0.019(3) 0.034(3)
C4 0.037(6) 0.019(4) 0.026(4) 0.013(4) 0.007(4) 0.008(4)
O5 0.024(4) 0.053(4) 0.026(3) 0.019(3) 0.012(3) 0.024(3)
C5 0.017(5) 0.026(4) 0.020(4) 0.004(4) 0.006(4) 0.012(3)
O6 0.028(4) 0.045(4) 0.038(3) 0.024(3) 0.017(3) 0.027(3)
C6 0.034(6) 0.031(5) 0.020(4) 0.006(5) 0.004(4) 0.009(4)
O7 0.036(4) 0.030(3) 0.031(3) 0.015(3) 0.016(3) 0.016(3)
C7 0.027(6) 0.057(7) 0.026(5) 0.012(5) 0.012(5) 0.021(5)
C8 0.028(6) 0.065(7) 0.028(5) 0.006(5) 0.011(5) 0.012(5)
C9 0.041(6) 0.051(6) 0.035(5) 0.030(5) 0.023(5) 0.023(4)
C10 0.026(6) 0.036(6) 0.031(5) 0.012(5) 0.008(5) 0.021(4)
C11 0.027(6) 0.060(7) 0.031(5) 0.010(5) 0.002(4) 0.023(5)
C12 0.039(6) 0.050(6) 0.047(6) 0.022(5) 0.022(5) 0.028(5)
C21 0.025(6) 0.023(5) 0.020(4) 0.002(4) 0.007(4) 0.012(4)
C22 0.036(6) 0.024(5) 0.023(5) 0.008(4) 0.009(4) 0.010(4)
C23 0.043(7) 0.032(5) 0.021(5) 0.006(5) 0.010(5) 0.005(4)
C24 0.053(8) 0.028(5) 0.036(6) 0.006(5) 0.031(6) 0.011(5)
C25 0.027(6) 0.033(5) 0.028(5) 0.010(4) 0.008(5) 0.011(4)
C26 0.042(7) 0.027(5) 0.025(5) 0.009(5) 0.005(5) 0.020(4)
C31 0.024(6) 0.042(6) 0.030(5) 0.011(5) 0.011(5) 0.027(4)
C32 0.036(6) 0.032(5) 0.045(6) 0.012(5) 0.014(5) 0.021(5)
C33 0.036(6) 0.035(6) 0.052(6) 0.003(5) 0.014(5) 0.023(5)
C34 0.021(6) 0.053(6) 0.048(6) -0.004(5) -0.003(5) 0.032(5)
C35 0.022(6) 0.066(7) 0.041(6) 0.011(5) 0.017(5) 0.037(5)
C36 0.042(7) 0.035(5) 0.032(5) 0.013(5) 0.014(5) 0.024(4)
P1' 0.0207(15) 0.0348(14) 0.0266(12) 0.0051(11) 0.0048(11) 0.0154(11)
O1' 0.027(4) 0.076(5) 0.049(4) 0.019(4) 0.014(3) 0.046(4)
C1' 0.023(6) 0.037(5) 0.029(5) 0.004(4) 0.006(4) 0.019(4)
O2' 0.029(4) 0.030(4) 0.023(3) 0.000(3) 0.010(3) 0.012(3)
C2' 0.027(5) 0.023(4) 0.020(4) 0.011(4) 0.007(4) 0.008(3)
O3' 0.026(4) 0.045(4) 0.044(4) 0.013(3) 0.016(3) 0.032(3)
C3' 0.023(5) 0.029(5) 0.028(4) 0.008(4) 0.010(4) 0.011(4)
O4' 0.032(4) 0.046(4) 0.031(3) 0.021(3) 0.014(3) 0.021(3)
C4' 0.024(5) 0.032(5) 0.017(4) 0.018(4) 0.002(4) 0.014(3)
O5' 0.029(4) 0.049(4) 0.034(3) 0.023(3) 0.010(3) 0.023(3)
C5' 0.024(5) 0.028(5) 0.031(5) 0.005(4) 0.009(4) 0.014(4)
O6' 0.018(3) 0.051(4) 0.025(3) 0.013(3) 0.008(3) 0.021(3)
C6' 0.019(5) 0.019(4) 0.028(4) 0.000(4) -0.002(4) 0.007(3)
O7' 0.039(4) 0.035(4) 0.038(4) -0.003(3) 0.020(3) 0.008(3)
C7' 0.023(6) 0.034(5) 0.030(5) 0.015(5) 0.007(4) 0.019(4)
C8' 0.050(7) 0.071(8) 0.040(6) 0.033(6) 0.016(5) 0.033(5)
C9' 0.036(6) 0.065(7) 0.037(6) 0.015(5) 0.023(5) 0.015(5)
C10' 0.032(6) 0.035(6) 0.024(5) 0.010(5) 0.010(5) 0.016(4)
C11' 0.043(7) 0.042(6) 0.041(6) 0.017(5) 0.008(5) 0.018(5)
C12' 0.034(6) 0.042(6) 0.052(6) 0.009(5) 0.004(5) 0.018(5)
C21' 0.021(6) 0.027(5) 0.025(5) 0.003(4) 0.000(4) 0.011(4)
C22' 0.025(6) 0.032(5) 0.029(5) 0.006(4) 0.008(4) 0.014(4)
C23' 0.039(7) 0.034(5) 0.022(5) 0.014(5) 0.007(5) 0.016(4)
C24' 0.042(7) 0.036(6) 0.023(5) -0.002(5) 0.008(5) 0.016(4)
C25' 0.041(7) 0.050(6) 0.043(6) 0.025(5) 0.031(6) 0.027(5)
C26' 0.025(6) 0.031(5) 0.042(6) 0.012(5) 0.013(5) 0.018(4)
C31' 0.029(6) 0.022(5) 0.030(5) 0.005(4) 0.005(4) 0.016(4)
C32' 0.028(6) 0.036(6) 0.043(6) 0.008(5) 0.018(5) 0.011(5)
C33' 0.039(7) 0.035(6) 0.049(6) 0.003(5) 0.016(5) 0.011(5)
C34' 0.037(7) 0.042(6) 0.054(7) -0.003(5) 0.016(5) 0.022(5)
C35' 0.016(6) 0.054(7) 0.052(7) 0.002(5) 0.014(5) 0.018(6)
C36' 0.030(7) 0.052(6) 0.037(5) 0.020(5) 0.017(5) 0.023(5)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
P1 0.5739(3) 0.1055(2) 0.9037(2) 0.0239(6) Uani d . 1 . P
O1 0.4771(7) 0.1875(6) 0.8507(5) 0.0274(14) Uani d . 1 . O
C1 0.4209(10) 0.1688(9) 0.7256(7) 0.026(2) Uani d . 1 . C
H1 0.3753 0.0689 0.6680 0.031 Uiso calc R 1 . H
O2 0.1993(8) 0.2233(6) 0.7720(5) 0.0299(16) Uani d . 1 . O
H2O 0.1329 0.1460 0.7287 0.036 Uiso calc R 1 . H
C2 0.2982(10) 0.2419(8) 0.7131(7) 0.020(2) Uani d . 1 . C
H2 0.3539 0.3423 0.7535 0.024 Uiso calc R 1 . H
O3 0.1567(7) 0.3078(6) 0.5627(5) 0.0308(15) Uani d . 1 . O
C3 0.2174(9) 0.2028(8) 0.5788(7) 0.0235(19) Uani d . 1 . C
H3 0.1312 0.1159 0.5412 0.028 Uiso calc R 1 . H
O4 0.2640(8) 0.2406(7) 0.4220(6) 0.0347(16) Uani d . 1 . O
C4 0.3194(10) 0.1846(8) 0.5048(7) 0.029(2) Uani d . 1 . C
H4 0.3028 0.0845 0.4572 0.035 Uiso calc R 1 . H
O5 0.5748(7) 0.2002(6) 0.5125(5) 0.0309(16) Uani d . 1 . O
C5 0.4880(9) 0.2555(8) 0.5809(7) 0.0208(18) Uani d . 1 . C
H5 0.5107 0.3560 0.6044 0.025 Uiso calc R 1 . H
O6 0.6450(7) 0.1513(6) 0.6741(5) 0.0316(16) Uani d . 1 . O
C6 0.5487(11) 0.2334(9) 0.6968(7) 0.032(2) Uani d . 1 . C
H6 0.6119 0.3241 0.7681 0.038 Uiso calc R 1 . H
O7 0.5550(7) -0.0332(6) 0.8139(5) 0.0302(15) Uani d . 1 . O
C7 0.7014(12) 0.1795(10) 0.5914(8) 0.035(3) Uani d . 1 . C
C8 0.8398(11) 0.3064(10) 0.6579(8) 0.044(3) Uani d . 1 . C
H81 0.9207 0.2939 0.7176 0.053 Uiso calc R 1 . H
H82 0.8104 0.3861 0.7006 0.053 Uiso calc R 1 . H
H83 0.8779 0.3213 0.5986 0.053 Uiso calc R 1 . H
C9 0.7361(12) 0.0539(10) 0.5180(8) 0.037(2) Uani d . 1 . C
H91 0.6434 -0.0252 0.4765 0.044 Uiso calc R 1 . H
H92 0.8176 0.0364 0.5729 0.044 Uiso calc R 1 . H
H93 0.7698 0.0688 0.4568 0.044 Uiso calc R 1 . H
C10 0.1468(11) 0.2968(9) 0.4468(8) 0.030(2) Uani d . 1 . C
C11 -0.0091(11) 0.2001(10) 0.3469(8) 0.041(3) Uani d . 1 . C
H111 -0.0074 0.1839 0.2662 0.049 Uiso calc R 1 . H
H112 -0.0898 0.2418 0.3587 0.049 Uiso calc R 1 . H
H113 -0.0296 0.1127 0.3520 0.049 Uiso calc R 1 . H
C12 0.1760(13) 0.4379(10) 0.4546(10) 0.041(3) Uani d . 1 . C
H121 0.0912 0.4733 0.4665 0.049 Uiso calc R 1 . H
H122 0.1837 0.4348 0.3785 0.049 Uiso calc R 1 . H
H123 0.2723 0.4983 0.5239 0.049 Uiso calc R 1 . H
C21 0.5077(7) 0.1129(6) 1.0246(4) 0.023(2) Uani d G 1 . C
C22 0.5919(6) 0.0805(6) 1.1155(5) 0.028(2) Uani d G 1 . C
H22 0.6806 0.0533 1.1124 0.034 Uiso calc R 1 . H
C23 0.5438(7) 0.0888(6) 1.2090(4) 0.035(3) Uani d G 1 . C
H23 0.6022 0.0698 1.2724 0.042 Uiso calc R 1 . H
C24 0.4134(8) 0.1239(6) 1.2129(5) 0.037(3) Uani d G 1 . C
H24 0.3825 0.1288 1.2786 0.045 Uiso calc R 1 . H
C25 0.3260(6) 0.1525(6) 1.1213(6) 0.030(2) Uani d G 1 . C
H25 0.2343 0.1749 1.1224 0.036 Uiso calc R 1 . H
C26 0.3759(6) 0.1473(6) 1.0295(5) 0.031(3) Uani d G 1 . C
H26 0.3182 0.1680 0.9671 0.037 Uiso calc R 1 . H
C31 0.7667(3) 0.2156(3) 0.9778(3) 0.028(2) Uani d G 1 . C
C32 0.8108(4) 0.3384(4) 1.0831(3) 0.036(2) Uani d G 1 . C
H32 0.7382 0.3590 1.1192 0.044 Uiso calc R 1 . H
C33 0.9548(4) 0.4304(4) 1.1364(3) 0.042(3) Uani d G 1 . C
H33 0.9836 0.5119 1.2098 0.050 Uiso calc R 1 . H
C34 1.0570(3) 0.4008(4) 1.0798(5) 0.043(3) Uani d G 1 . C
H34 1.1561 0.4649 1.1138 0.052 Uiso calc R 1 . H
C35 1.0193(4) 0.2816(5) 0.9763(5) 0.038(3) Uani d G 1 . C
H35 1.0915 0.2628 0.9394 0.045 Uiso calc R 1 . H
C36 0.8740(5) 0.1891(4) 0.9263(3) 0.033(2) Uani d G 1 . C
H36 0.8474 0.1057 0.8552 0.039 Uiso calc R 1 . H
P1' 0.0400(3) 0.8243(2) 0.6192(2) 0.0283(6) Uani d G 1 . P
O1' 0.1629(2) 0.7750(2) 0.6909(2) 0.0443(19) Uani d G 1 . O
C1' 0.1659(3) 0.7133(3) 0.7742(2) 0.030(2) Uani d G 1 . C
H1' 0.1086 0.6133 0.7255 0.036 Uiso calc R 1 . H
O2' 0.4154(7) 0.6996(6) 0.7614(5) 0.0288(16) Uani d . 1 . O
H2O' 0.4467 0.7690 0.7519 0.035 Uiso calc R 1 . H
C2' 0.3356(10) 0.7306(8) 0.8404(7) 0.024(2) Uani d . 1 . C
H2' 0.3871 0.8274 0.9050 0.028 Uiso calc R 1 . H
O3' 0.4851(7) 0.6760(6) 0.9924(6) 0.0335(16) Uani d . 1 . O
C3' 0.3390(10) 0.6355(9) 0.9013(7) 0.027(2) Uani d . 1 . C
H3' 0.3140 0.5389 0.8391 0.032 Uiso calc R 1 . H
O4' 0.3239(8) 0.6586(6) 1.0875(5) 0.0332(16) Uani d . 1 . O
C4' 0.2280(10) 0.6442(9) 0.9701(7) 0.0238(19) Uani d . 1 . C
H4' 0.1393 0.5583 0.9271 0.029 Uiso calc R 1 . H
O5' 0.0507(7) 0.7610(6) 1.0301(5) 0.0349(17) Uani d . 1 . O
C5' 0.1730(10) 0.7682(9) 0.9880(7) 0.028(2) Uani d . 1 . C
H5' 0.2598 0.8535 1.0475 0.034 Uiso calc R 1 . H
O6' -0.0565(6) 0.7086(6) 0.8287(5) 0.0299(15) Uani d . 1 . O
C6' 0.0994(10) 0.7772(8) 0.8684(7) 0.027(2) Uani d . 1 . C
H6' 0.1126 0.8755 0.8858 0.032 Uiso calc R 1 . H
O7' 0.0329(8) 0.9615(6) 0.6921(6) 0.0402(18) Uani d . 1 . O
C7' -0.0907(11) 0.7407(9) 0.9351(8) 0.028(2) Uani d . 1 . C
C8' -0.1336(13) 0.8697(11) 0.9721(9) 0.049(3) Uani d . 1 . C
H81' -0.0522 0.9445 0.9819 0.059 Uiso calc R 1 . H
H82' -0.1469 0.8921 1.0499 0.059 Uiso calc R 1 . H
H83' -0.2299 0.8576 0.9088 0.059 Uiso calc R 1 . H
C9' -0.2099(12) 0.6204(11) 0.9158(9) 0.046(3) Uani d . 1 . C
H91' -0.2296 0.6397 0.9909 0.056 Uiso calc R 1 . H
H92' -0.1735 0.5396 0.8953 0.056 Uiso calc R 1 . H
H93' -0.3049 0.6026 0.8484 0.056 Uiso calc R 1 . H
C10' 0.4661(12) 0.6379(9) 1.0840(8) 0.030(2) Uani d . 1 . C
C11' 0.4568(13) 0.4887(9) 1.0496(9) 0.043(3) Uani d . 1 . C
H1A' 0.4479 0.4666 1.1157 0.052 Uiso calc R 1 . H
H1B' 0.5498 0.4728 1.0368 0.052 Uiso calc R 1 . H
H1C' 0.3667 0.4303 0.9739 0.052 Uiso calc R 1 . H
C12' 0.5913(12) 0.7300(10) 1.2030(9) 0.047(3) Uani d . 1 . C
H2A' 0.6883 0.7128 1.2013 0.056 Uiso calc R 1 . H
H2B' 0.5698 0.7129 1.2680 0.056 Uiso calc R 1 . H
H2C' 0.5991 0.8255 1.2190 0.056 Uiso calc R 1 . H
C21' 0.1048(6) 0.8129(6) 0.4973(4) 0.027(2) Uani d G 1 . C
C22' 0.0138(6) 0.8322(6) 0.4012(5) 0.030(2) Uani d G 1 . C
H22' -0.0804 0.8502 0.4003 0.036 Uiso calc R 1 . H
C23' 0.0610(7) 0.8251(6) 0.3060(4) 0.031(2) Uani d G 1 . C
H23' -0.0012 0.8375 0.2396 0.038 Uiso calc R 1 . H
C24' 0.1984(8) 0.7999(7) 0.3082(5) 0.035(3) Uani d G 1 . C
H24' 0.2315 0.7961 0.2438 0.042 Uiso calc R 1 . H
C25' 0.2856(6) 0.7807(7) 0.4015(6) 0.038(3) Uani d G 1 . C
H25' 0.3787 0.7612 0.4010 0.045 Uiso calc R 1 . H
C26' 0.2425(6) 0.7885(6) 0.4995(5) 0.031(2) Uani d G 1 . C
H26' 0.3067 0.7774 0.5660 0.038 Uiso calc R 1 . H
C31' -0.1463(5) 0.6987(5) 0.5504(5) 0.027(2) Uani d G 1 . C
C32' -0.1771(6) 0.5743(6) 0.4505(5) 0.037(2) Uani d G 1 . C
H32' -0.1007 0.5570 0.4181 0.044 Uiso calc R 1 . H
C33' -0.3192(7) 0.4753(5) 0.3981(5) 0.045(3) Uani d G 1 . C
H33' -0.3403 0.3900 0.3304 0.054 Uiso calc R 1 . H
C34' -0.4288(5) 0.5026(6) 0.4458(6) 0.046(3) Uani d G 1 . C
H34' -0.5256 0.4350 0.4113 0.055 Uiso calc R 1 . H
C35' -0.4003(6) 0.6260(7) 0.5423(6) 0.043(3) Uani d G 1 . C
H35' -0.4782 0.6439 0.5728 0.052 Uiso calc R 1 . H
C36' -0.2583(6) 0.7248(5) 0.5958(4) 0.036(2) Uani d G 1 . C
H36' -0.2384 0.8098 0.6633 0.044 Uiso calc R 1 . H
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
P1 O7 . 1.473(6) y
P1 O1 . 1.574(6) y
P1 C31 . 1.782(5) y
P1 C21 . 1.805(4) y
O1 C1 . 1.443(9) y
C1 C6 . 1.517(12) n
C1 C2 . 1.528(12) n
C1 H1 . 1.0000 n
O2 C2 . 1.401(11) n
O2 H2O . 0.8400 n
C2 C3 . 1.508(10) n
C2 H2 . 1.0000 n
O3 C10 . 1.407(10) n
O3 C3 . 1.427(10) n
C3 C4 . 1.529(12) n
C3 H3 . 1.0000 n
O4 C10 . 1.421(12) n
O4 C4 . 1.424(9) n
C4 C5 . 1.506(11) n
C4 H4 . 1.0000 n
O5 C5 . 1.417(10) n
O5 C7 . 1.438(11) n
C5 C6 . 1.543(11) n
C5 H5 . 1.0000 n
O6 C6 . 1.406(10) n
O6 C7 . 1.418(11) n
C6 H6 . 1.0000 n
C7 C9 . 1.506(13) n
C7 C8 . 1.514(14) n
C8 H81 . 0.9800 n
C8 H82 . 0.9800 n
C8 H83 . 0.9800 n
C9 H91 . 0.9800 n
C9 H92 . 0.9800 n
C9 H93 . 0.9800 n
C10 C12 . 1.493(13) n
C10 C11 . 1.533(13) n
C11 H111 . 0.9800 n
C11 H112 . 0.9800 n
C11 H113 . 0.9800 n
C12 H121 . 0.9800 n
C12 H122 . 0.9800 n
C12 H123 . 0.9800 n
C21 C26 . 1.3831 n
C21 C22 . 1.4007 n
C22 C23 . 1.3735 n
C22 H22 . 0.9500 n
C23 C24 . 1.3718 n
C23 H23 . 0.9500 n
C24 C25 . 1.3927 n
C24 H24 . 0.9500 n
C25 C26 . 1.3711 n
C25 H25 . 0.9500 n
C26 H26 . 0.9500 n
C31 C36 . 1.3829 n
C31 C32 . 1.3952 n
C32 C33 . 1.3707 n
C32 H32 . 0.9500 n
C33 C34 . 1.3845 n
C33 H33 . 0.9500 n
C34 C35 . 1.3702 n
C34 H34 . 0.9500 n
C35 C36 . 1.3858 n
C35 H35 . 0.9500 n
C36 H36 . 0.9500 n
P1' O7' . 1.477(7) y
P1' O1' . 1.565(8) y
P1' C21' . 1.801(5) y
P1' C31' . 1.803(5) y
O1' C1' . 1.450(11) y
C1' C6' . 1.517(9) n
C1' C2' . 1.536(9) n
C1' H1' . 1.0000 n
O2' C2' . 1.408(10) n
O2' H2O' . 0.8400 n
C2' C3' . 1.514(11) n
C2' H2' . 1.0000 n
O3' C3' . 1.401(10) n
O3' C10' . 1.423(10) n
C3' C4' . 1.553(11) n
C3' H3' . 1.0000 n
O4' C10' . 1.423(12) n
O4' C4' . 1.439(9) n
C4' C5' . 1.504(11) n
C4' H4' . 1.0000 n
O5' C5' . 1.423(11) n
O5' C7' . 1.443(10) n
C5' C6' . 1.524(11) n
C5' H5' . 1.0000 n
O6' C6' . 1.400(10) n
O6' C7' . 1.416(11) n
C6' H6' . 1.0000 n
C7' C9' . 1.491(14) n
C7' C8' . 1.487(13) n
C8' H81' . 0.9800(13) n
C8' H82' . 0.9800 n
C8' H83' . 0.9800 n
C9' H91' . 0.9800 n
C9' H92' . 0.9800 n
C9' H93' . 0.9800 n
C10' C12' . 1.471(13) n
C10' C11' . 1.515(13) n
C11' H1A' . 0.9800 n
C11' H1B' . 0.9800 n
C11' H1C' . 0.9800 n
C12' H2A' . 0.9800 n
C12' H2B' . 0.9800 n
C12' H2C' . 0.9800 n
C21' C26' . 1.3789 n
C21' C22' . 1.3876 n
C22' C23' . 1.3908 n
C22' H22' . 0.9500 n
C23' C24' . 1.3794 n
C23' H23' . 0.9500 n
C24' C25' . 1.3452 n
C24' H24' . 0.9500 n
C25' C26' . 1.3999 n
C25' H25' . 0.9500 n
C26' H26' . 0.9500 n
C31' C36' . 1.3780 n
C31' C32' . 1.3937 n
C32' C33' . 1.3905 n
C32' H32' . 0.9500 n
C33' C34' . 1.3759 n
C33' H33' . 0.9500 n
C34' C35' . 1.3708 n
C34' H34' . 0.9500 n
C35' C36' . 1.3881 n
C35' H35' . 0.9500 n
C36' H36' . 0.9500 n