Crystallography Open Database

Information card for entry 2005044

2005043 << 2005044 >> 2005045

Preview

Coordinates	2005044.cif
Original IUCr paper	HTML

Structure parameters

Common name	1-O-benzyl-2-O-benzoyl-3,4-O-isopropylidene-β-L-arabinopyranose
Chemical name	1-O-benzyl-2-O-benzoyl-3,4-O-isopropylidene-β-L-arabinopyranose
Formula	C22 H24 O6
Calculated formula	C22 H24 O6
SMILES	O([C@H]1OC[C@@H]2OC(O[C@@H]2[C@H]1OC(=O)c1ccccc1)(C)C)Cc1ccccc1
Title of publication	1-<i>O</i>-Benzyl-β-<small>L</small>-arabinopyranose, 1-<i>O</i>-Benzyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose and 1-<i>O</i>-Benzyl-2-<i>O</i>-benzoyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-arabinopyranose
Authors of publication	Popek, T.; Mazurek, J.; Lis, T.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	6
Pages of publication	1558 - 1563
a	8.106 ± 0.004 Å
b	11.353 ± 0.006 Å
c	11.546 ± 0.006 Å
α	90°
β	106.83 ± 0.04°
γ	90°
Cell volume	1017 ± 0.9 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 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	0.0408
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for all reflections	0.1086
Weighted residual factors for significantly intense reflections	0.1059
Goodness-of-fit parameter for all reflections	1.085
Goodness-of-fit parameter for significantly intense reflections	1.132
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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