#------------------------------------------------------------------------------
#$Date: 2008-11-20 19:58:43 +0000 (Thu, 20 Nov 2008) $
#$Revision: 481 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006236.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_2006236
_journal_name_full 'Acta Crystallographica Section C'
_journal_year 1997
_journal_volume 53
_journal_page_first 753
_journal_page_last 755
_publ_section_title
;
(2R,3R,4S)-3-(tert-Butyldiphenylsiloxy)-4-hydroxy-3-methylhex-4-ene-1,2-diyl
Diacetate
;
loop_
_publ_author_name
 'Lewinski, Krzysztof '
_chemical_formula_moiety 'C27 H36 O6 Si'
_chemical_formula_sum 'C27 H36 O6 Si'
_chemical_formula_weight 484.65
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21'
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y+1/2, -z'
_cell_length_a 10.8380(10)
_cell_length_b 9.3470(10)
_cell_length_c 13.4560(10)
_cell_angle_alpha 90.00
_cell_angle_beta 92.300(10)
_cell_angle_gamma 90.00
_cell_volume 1362.0(2)
_cell_formula_units_Z 2
_cell_measurement_temperature 293(2)
_exptl_crystal_density_diffrn 1.182
_diffrn_ambient_temperature 293(2)
_refine_ls_R_factor_obs  .0317
_refine_ls_wR_factor_obs  .0856
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
 Si  .19939(4)  .7915  .71663(3)  .03868(13) Uani
 O1  .4991(2) 1.0083(2)  .50861(12)  .0596(4) Uani
 H1  .447(3)   1.010(4) .465(2) .091(10) Uiso
 O2  .32838(10)  .88425(14)  .72179(8)  .0424(3) Uani
 O3  .40812(12) 1.1339(2)  .81330(9)  .0509(3) Uani
 O4  .5168(3) 1.0029(3)  .92487(15)  .1107(8) Uani
 O5  .62774(13) 1.2506(2)  .75655(10)  .0572(4) Uani
 O6  .6520(2) 1.4475(2)  .66640(15)  .0784(5) Uani
 C1  .6666(2)  .8159(3)  .5918(2)  .0650(6) Uani
 H002  .6893(2)  .8735(3)  .5392(2)  .095(10) Uiso
 H003  .7242(2)  .7551(3)  .6226(2)  .090(9) Uiso
 C2  .5540(2)  .8205(2)  .6223(2)  .0546(5) Uani
 H004  .5353(2)  .7612(2)  .6751(2)  .059(6) Uiso
 C3  .4523(2)  .9128(2)  .57994(14)  .0470(4) Uani
 H005  .3928(2)  .8498(2)  .54487(14)  .054(6) Uiso
 C4  .38193(15)  .9928(2)  .66186(12)  .0393(4) Uani
 C5  .4739(2) 1.0736(2)  .73189(14)  .0431(4) Uani
 H006  .5363(2) 1.0063(2)  .75842(14)  .042(5) Uiso
 C6  .5375(2) 1.1974(2)  .68382(15)  .0509(4) Uani
 H007  .5776(2) 1.1660(2)  .62442(15)  .048(5) Uiso
 H008  .4783(2) 1.2716(2)  .66547(15)  .064(6) Uiso
 C7  .6773(2) 1.3774(2)  .7379(2)  .0567(5) Uani
 C8  .7720(3) 1.4181(4)  .8176(3)  .0916(9) Uani
 H009  .7423(11) 1.393(3) .8815(3)  .115(12) Uiso
 H010  .7864(18) 1.5194(6)  .8152(12)  .117(12) Uiso
 H011  .8477(8) 1.368(2) .8069(12)  .25(3)   Uiso
 C9  .2834(2) 1.0916(2)  .6166(2)  .0526(5) Uani
 H012  .2286(7) 1.0377(4)  .5731(8)  .056(6) Uiso
 H013  .3220(2) 1.1657(9)  .5795(9)  .068(7) Uiso
 H014  .2375(8) 1.1337(11)  .6687(2)  .055(6) Uiso
 C10  .4433(3) 1.0943(3)  .9061(2)  .0718(7) Uani
 C11  .3764(3) 1.1832(5)  .9803(2)  .1074(12) Uani
 H015  .2910(7) 1.191(3) .9593(11)  .117(13) Uiso
 H016  .4127(17) 1.2768(11)  .9844(15)  .165(17) Uiso
 H017  .383(2)   1.1381(16) 1.0443(5)  .19(2)   Uiso
 C21  .1405(2)  .7564(2)  .58503(13)  .0414(4) Uani
 C22  .1988(2)  .6647(2)  .52014(14)  .0470(4) Uani
 H018  .2685(2)  .6144(2)  .54265(14)  .063(7) Uiso
 C23  .1550(2)  .6469(2)  .42270(15)  .0551(5) Uani
 H019  .1954(2)  .5849(2)  .38081(15)  .057(6) Uiso
 C24  .0527(2)  .7198(3)  .38765(15)  .0595(5) Uani
 H020  .0235(2)  .7071(3)  .32231(15)  .070(7) Uiso
 C25  -.0067(2)  .8119(3)  .4497(2)  .0639(6) Uani
 H021  -.0762(2)  .8618(3)  .4263(2)  .060(6) Uiso
 C26  .0372(2)  .8299(2)  .54659(15)  .0538(5) Uani
 H022  -.0034(2)  .8930(2)  .58756(15)  .056(6) Uiso
 C31  .0751(2)  .8907(2)  .78238(13)  .0511(5) Uani
 C32  .1011(2) 1.0090(3)  .8400(2)  .0675(6) Uani
 H023  .1814(2) 1.0442(3)  .8438(2)  .089(9) Uiso
 C33  .0110(3) 1.0776(4)  .8927(2)  .0943(9) Uani
 H024  .0311(3) 1.1570(4)  .9317(2)  .085(8) Uiso
 C34  -.1082(3) 1.0274(5)  .8869(2)  .1016(11) Uani
 H025  -.1692(3) 1.0736(5)  .9216(2)  .101(10) Uiso
 C35  -.1372(2)  .9104(4)  .8307(2)  .0899(9) Uani
 H026  -.2178(2)  .8761(4)  .8276(2)  .093(9) Uiso
 C36  -.0472(2)  .8422(3)  .7782(2)  .0677(6) Uani
 H027  -.0682(2)  .7628(3)  .7395(2)  .065(7) Uiso
 C41  .2395(2)  .6244(2)  .79157(15)  .0533(5) Uani
 C42  .1247(3)  .5319(3)  .8040(2)  .0829(8) Uani
 H028  .0666(8)  .5829(10)  .8428(13)  .125(14) Uiso
 H029  .1479(4)  .4446(10)  .8373(14)  .105(10) Uiso
 H030  .0876(12)  .5104(19)  .7398(3)  .113(12) Uiso
 C43  .2871(3)  .6748(3)  .8942(2)  .0846(9) Uani
 H031  .2240(9)  .729(2) .9250(8)  .133(15) Uiso
 H032  .3589(14)  .734(2) .8872(2)  .18(2)   Uiso
 H033  .308(2) .5933(4)  .9347(6)  .100(10) Uiso
 C44  .3372(3)  .5328(3)  .7438(3)  .0973(11) Uani
 H034  .4105(7)  .5886(7)  .7359(14)  .089(9) Uiso
 H035  .3064(8)  .5001(18)  .6799(7)  .25(3)   Uiso
 H036  .3563(14)  .4518(12)  .7856(8)  .084(8) Uiso
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
 Si  .0358(2)  .0435(2)  .0369(2)  .0000(2)  .0030(2)  .0023(2)
 O1  .0612(8)  .0720(10)  .0460(7)  -.0168(8)  .0072(7)  .0044(7)
 O2  .0393(6)  .0464(7)  .0411(6)  -.0009(5)  -.0015(5)  .0072(5)
 O3  .0588(7)  .0511(7)  .0428(7)  -.0037(6)  .0030(5)  -.0016(6)
 O4  .178(2)  .0845(13)  .0661(11)  .001(2)  -.0447(13)  .0127(10)
 O5  .0575(8)  .0549(8)  .0582(8)  -.0125(6)  -.0094(6)  -.0019(6)
 O6  .0804(11)  .0598(9)  .0934(12)  -.0163(9)  -.0160(9)  .0143(10)
 C1  .0564(11)  .0536(13)  .085(2)  -.0016(10)  .0070(11)  -.0193(11)
 C2  .0557(11)  .0426(11)  .0661(12)  -.0018(8)  .0107(9)  -.0064(9)
 C3  .0458(9)  .0507(10)  .0446(9)  -.0124(8)  .0042(7)  -.0044(8)
 C4  .0367(8)  .0395(8)  .0414(9)  -.0012(7)  -.0004(7)  .0074(7)
 C5  .0409(9)  .0421(9)  .0462(9)  .0015(7)  -.0005(7)  .0002(7)
 C6  .0458(10)  .0537(11)  .0530(10)  -.0096(8)  -.0019(8)  -.0027(9)
 C7  .0499(11)  .0480(11)  .0720(13)  -.0050(9)  -.0004(9)  -.0080(10)
 C8  .093(2)  .080(2)  .100(2)  -.029(2)  -.022(2)  -.011(2)
 C9  .0465(10)  .0528(11)  .0579(11)  .0008(8)  -.0047(8)  .0132(9)
 C10  .100(2)  .067(2)  .0471(12)  -.0276(14)  -.0128(11)  .0011(11)
 C11  .126(3)  .139(3)  .058(2)  -.044(2)  .016(2)  -.030(2)
 C21  .0382(8)  .0437(10)  .0423(8)  -.0031(7)  .0018(6)  -.0002(7)
 C22  .0426(9)  .0477(10)  .0507(10)  -.0028(8)  .0041(8)  -.0026(8)
 C23  .0606(11)  .0571(11)  .0482(10)  -.0104(9)  .0108(9)  -.0107(9)
 C24  .0604(12)  .0748(13)  .0427(10)  -.0136(11)  -.0059(9)  -.0034(10)
 C25  .0563(11)  .0790(15)  .0553(11)  .0096(11)  -.0117(9)  .0026(11)
 C26  .0504(10)  .0608(13)  .0500(10)  .0089(8)  -.0010(8)  -.0049(8)
 C31  .0455(9)  .0691(13)  .0388(9)  .0085(9)  .0055(7)  .0003(9)
 C32  .0691(14)  .080(2)  .0540(12)  .0108(13)  .0047(10)  -.0150(11)
 C33  .103(2)  .109(2)  .071(2)  .025(2)  .0180(15)  -.029(2)
 C34  .088(2)  .141(3)  .078(2)  .040(2)  .038(2)  -.007(2)
 C35  .0548(14)  .137(3)  .080(2)  .012(2)  .0243(12)  .004(2)
 C36  .0448(11)  .096(2)  .0632(13)  .0009(10)  .0123(9)  -.0029(12)
 C41  .0556(11)  .0543(11)  .0503(10)  -.0006(9)  .0044(8)  .0163(9)
 C42  .084(2)  .069(2)  .095(2)  -.0247(14)  -.002(2)  .026(2)
 C43  .103(2)  .089(2)  .0602(14)  -.008(2)  -.0222(14)  .0305(14)
 C44  .111(2)  .074(2)  .109(2)  .041(2)  .041(2)  .048(2)
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
 Si O2 . 1.6441(12) yes
 Si C31 . 1.885(2) yes
 Si C21 . 1.887(2) yes
 Si C41 . 1.900(2) yes
 O1 C3 . 1.419(2) yes
 O1 H1 .  .80(3) no
 O2 C4 . 1.433(2) yes
 O3 C10 . 1.343(3) yes
 O3 C5 . 1.445(2) yes
 O4 C10 . 1.188(4) yes
 O5 C7 . 1.330(3) yes
 O5 C6 . 1.444(2) yes
 O6 C7 . 1.187(3) yes
 C1 C2 . 1.304(3) yes
 C1 H002 .  .93 no
 C1 H003 .  .93 no
 C2 C3 . 1.495(3) yes
 C2 H004 .  .93 no
 C3 C4 . 1.557(2) yes
 C3 H005 .  .98 no
 C4 C9 . 1.520(2) yes
 C4 C5 . 1.541(2) yes
 C5 C6 . 1.506(3) yes
 C5 H006 .  .98 no
 C6 H007 .  .97 no
 C6 H008 .  .97 no
 C7 C8 . 1.502(3) yes
 C8 H009 .  .96 no
 C8 H010 .  .96 no
 C8 H011 .  .96 no
 C9 H012 .  .96 no
 C9 H013 .  .96 no
 C9 H014 .  .96 no
 C10 C11 . 1.507(4) yes
 C11 H015 .  .96 no
 C11 H016 .  .96 no
 C11 H017 .  .96 no
 C21 C22 . 1.394(2) no
 C21 C26 . 1.394(3) no
 C22 C23 . 1.387(3) no
 C22 H018 .  .93 no
 C23 C24 . 1.369(3) no
 C23 H019 .  .93 no
 C24 C25 . 1.377(3) no
 C24 H020 .  .93 no
 C25 C26 . 1.381(3) no
 C25 H021 .  .93 no
 C26 H022 .  .93 no
 C31 C32 . 1.374(3) no
 C31 C36 . 1.399(3) no
 C32 C33 . 1.386(4) no
 C32 H023 .  .93 no
 C33 C34 . 1.374(5) no
 C33 H024 .  .93 no
 C34 C35 . 1.359(5) no
 C34 H025 .  .93 no
 C35 C36 . 1.384(4) no
 C35 H026 .  .93 no
 C36 H027 .  .93 no
 C41 C44 . 1.524(3) no
 C41 C43 . 1.529(3) no
 C41 C42 . 1.529(3) no
 C42 H028 .  .96 no
 C42 H029 .  .96 no
 C42 H030 .  .96 no
 C43 H031 .  .96 no
 C43 H032 .  .96 no
 C43 H033 .  .96 no
 C44 H034 .  .96 no
 C44 H035 .  .96 no
 C44 H036 .  .96 no