#------------------------------------------------------------------------------
#$Date: 2008-01-26 17:25:03 +0000 (Sat, 26 Jan 2008) $
#$Revision: 20 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005058.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_2005058
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	1552
_journal_page_last    	1554
_publ_section_title
;
(2'S,3'S,4'R)-5'-O-Benzoyl-3'-deoxy-3'\b-diethylphosphono-2'-O-
tert-butyldimethylsilyluridine
;
_chemical_formula_sum    	'C26 H39 N2 O9 P1 Si1'
_chemical_formula_weight    	582.66
_symmetry_cell_setting    	orthorhombic
_symmetry_space_group_name_h-m    	'P 21 21 21'
_cell_length_a    	13.695(4)
_cell_length_b    	25.34(1)
_cell_length_c    	9.128(3)
_cell_angle_alpha    	90.00
_cell_angle_beta    	90.00
_cell_angle_gamma    	90.00
_cell_volume    	3167(3)
_cell_formula_units_z    	4
_exptl_crystal_density_diffrn    	1.22
_cell_measurement_temperature    	291
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
P 0.5534(1) 0.37815(6) 0.8013(2) 0.0441(3)
Si 0.2364(1) 0.30936(7) 1.0008(2) 0.0570(4)
O4' 0.3786(3) 0.3707(1) 0.5332(4) 0.047(1)
O5 0.5939(3) 0.3402(2) 0.6969(5) 0.055(1)
O6 0.5987(2) 0.4350(1) 0.8025(5) 0.057(1)
O7 0.5626(3) 0.3558(1) 0.9614(4) 0.059(1)
O2' 0.2820(3) 0.3509(1) 0.8791(4) 0.049(1)
O2 0.1631(2) 0.2804(2) 0.5207(5) 0.060(1)
O4 0.3441(3) 0.1402(2) 0.3830(8) 0.119(2)
O5' 0.4285(3) 0.4674(2) 0.4115(4) 0.059(1)
O8 0.5629(3) 0.5145(2) 0.3702(5) 0.081(1)
N1 0.3275(3) 0.2834(2) 0.5625(5) 0.038(1)
N3 0.2565(3) 0.2107(2) 0.4554(5) 0.053(1)
C3' 0.4249(3) 0.3929(2) 0.7745(6) 0.037(1)
C2' 0.3608(4) 0.3430(2) 0.7826(6) 0.038(1)
C1' 0.3218(4) 0.3365(2) 0.6233(6) 0.043(1)
C4' 0.3985(4) 0.4156(2) 0.6216(6) 0.041(1)
C7 0.7022(4) 0.4465(3) 0.785(1) 0.089(3)
C8 0.7122(6) 0.4991(4) 0.731(2) 0.221(6)
C9 0.5526(8) 0.3858(3) 1.0903(8) 0.121(3)
C10 0.5887(9) 0.3628(4) 1.220(1) 0.177(4)
C11 0.2543(6) 0.2407(3) 0.938(1) 0.121(3)
C12 0.3025(7) 0.3197(5) 1.1764(9) 0.150(4)
C13 0.1062(4) 0.3276(2) 1.0159(7) 0.058(2)
C16 0.0563(6) 0.2969(4) 1.139(1) 0.112(3)
C15 0.0527(6) 0.3170(4) 0.876(1) 0.123(3)
C14 0.0952(6) 0.3867(3) 1.047(1) 0.119(3)
C2 0.2428(3) 0.2596(2) 0.5126(6) 0.042(1)
C4 0.3436(4) 0.1832(2) 0.4367(8) 0.066(2)
C5 0.4276(4) 0.2124(2) 0.4857(7) 0.059(2)
C6 0.4183(4) 0.2600(2) 0.5450(6) 0.047(2)
C5' 0.4721(4) 0.4495(2) 0.5472(7) 0.053(2)
C17 0.4849(4) 0.4995(2) 0.3308(7) 0.055(2)
C18 0.4374(4) 0.5139(2) 0.1906(7) 0.052(2)
C19 0.3548(4) 0.4884(2) 0.1379(7) 0.053(2)
C20 0.3151(4) 0.5019(2) 0.0052(8) 0.064(2)
C21 0.3557(6) 0.5410(3) -0.0744(8) 0.086(2)
C22 0.4373(6) 0.5668(3) -0.0259(9) 0.108(3)
C23 0.4777(5) 0.5539(3) 0.1078(8) 0.080(2)
H3 0.214(3) 0.197(2) 0.419(4) 0.03(1)
H8A 0.7780 0.5050 0.7026 0.2433
H8B 0.6948 0.5235 0.8060 0.2433
H8C 0.6705 0.5039 0.6492 0.2433
H10A 0.6570 0.3568 1.2100 0.1948
H10B 0.5565 0.3302 1.2365 0.1948
H10C 0.5772 0.3859 1.2998 0.1948
H11A 0.3222 0.2333 0.9323 0.1327
H11B 0.2256 0.2364 0.8441 0.1327
H11C 0.2243 0.2172 1.0053 0.1327
H12A 0.3105 0.2869 1.2248 0.1654
H12B 0.2660 0.3431 1.2371 0.1654
H12C 0.3649 0.3347 1.1570 0.1654
H16A -0.0124 0.3009 1.1314 0.1236
H16B 0.0776 0.3100 1.2311 0.1236
H16C 0.0728 0.2605 1.1314 0.1236
H15A 0.0607 0.2810 0.8491 0.1350
H15B -0.0147 0.3244 0.8887 0.1350
H15C 0.0782 0.3390 0.8004 0.1350
H14A 0.0319 0.3933 1.0870 0.1307
H14B 0.1433 0.3975 1.1151 0.1307
H14C 0.1027 0.4060 0.9588 0.1307
H3' 0.4132 0.4179 0.8501 0.0403
H2' 0.3957 0.3131 0.8171 0.0419
H1' 0.2541 0.3446 0.6260 0.0469
H4' 0.3455 0.4393 0.6353 0.0454
H7A 0.7305 0.4224 0.7181 0.0978
H7B 0.7340 0.4435 0.8776 0.0978
H9A 0.4851 0.3926 1.1042 0.1336
H9B 0.5862 0.4182 1.0759 0.1336
H5 0.4907 0.1973 0.4755 0.0650
H6 0.4751 0.2784 0.5760 0.0521
H5'A 0.4880 0.4789 0.6074 0.0583
H5'B 0.5296 0.4298 0.5273 0.0583
H19 0.3254 0.4613 0.1947 0.0583
H20 0.2592 0.4838 -0.0305 0.0709
H21 0.3272 0.5508 -0.1653 0.0951
H22 0.4661 0.5936 -0.0844 0.1187
H23 0.5332 0.5725 0.1429 0.0880