Crystallography Open Database

Information card for entry 2003474

2003473 << 2003474 >> 2003475

Preview

Coordinates	2003474.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Benzyl 2-acetimido-4-azido-3-O-benzyl-6-O-(tert-butyldiphenylsilyl)- 2,4-dideoxy-β-D-glucopyranoside
Formula	C38 H42 N4 O6 Si
Calculated formula	C38 H42 N4 O6 Si
SMILES	[C@H]1(OCc2ccccc2)[C@@H]([C@@H](OC(=O)c2ccccc2)[C@@H]([C@H](O1)CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)N=N#N)NC(=O)C
Title of publication	Benzyl 2-Acetamido-4-azido-3-<i>O</i>-benzoyl-6-<i>O</i>-(<i>tert</i>-butyldiphenylsilyl)-2,4-dideoxy-β-<small>D</small>-glucopyranoside
Authors of publication	Barnes, J. C.; Field, R. A.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	5
Pages of publication	1018 - 1020
a	15.273 ± 0.001 Å
b	15.273 ± 0.001 Å
c	27.399 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	5535 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0701
Residual factor for significantly intense reflections	0.04
Weighted residual factors for all reflections	0.1141
Weighted residual factors for significantly intense reflections	0.0919
Goodness-of-fit parameter for all reflections	0.562
Goodness-of-fit parameter for significantly intense reflections	0.635
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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