Crystallography Open Database

Information card for entry 2003304

2003303 << 2003304 >> 2003305

Preview

Coordinates	2003304.cif
Original IUCr paper	HTML

Structure parameters

Common name	3-O-benzoyl-4,6:4',6'-di-O-benzylidene-2,2'-dideoxy-α,α-ribotrehalose
Chemical name	3-O-benzoyl-4,6-O-benzylidene-2-deoxy-α-D-ribohexopyranosyl 4,6-O- benzylidene-2-deoxy-α-D-ribohexopyranoside
Formula	C33 H34 O10
Calculated formula	C33 H34 O10
SMILES	O([C@H]1O[C@H]2[C@@H](O[C@@H](OC2)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C1)[C@H]1O[C@H]2[C@@H](O[C@@H](OC2)c2ccccc2)[C@@H](O)C1
Title of publication	3-<i>O</i>-Benzoyl-4,6;4',6'-di-<i>O</i>-benzylidene-2,2'-dideoxy-α,α-<i>ribo</i>-trehalose
Authors of publication	Linden, A.; Lee, C. K.
Journal of publication	Acta Crystallographica Section C
Year of publication	1995
Journal volume	51
Journal issue	4
Pages of publication	747 - 751
a	9.604 ± 0.006 Å
b	9.994 ± 0.004 Å
c	16.072 ± 0.005 Å
α	90°
β	103.68 ± 0.03°
γ	90°
Cell volume	1498.9 ± 1.2 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for all reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0317
Goodness-of-fit parameter for significantly intense reflections	1.577
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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