Crystallography Open Database

Information card for entry 2203635

2203634 << 2203635 >> 2203636

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Structure parameters

Chemical name	2-C-Hydroxymethyl-2,3-O-isopropylidene-D-ribono-1,5-lactam
Formula	C9 H14 N O5
Calculated formula	C9 H14 N O5
SMILES	[C@]12([C@@H]([C@@H](CNC1=O)O)OC(O2)(C)C)CO
Title of publication	2-<i>C</i>-Hydroxymethyl-2,3-<i>O</i>-isopropylidene-<small>D</small>-ribono-1,5-lactam
Authors of publication	Newton, Christopher R.; Iezzi, Simone Michela; Fleet, George W. J.; Blériot, Yves; Watkin, David J.
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	5
Pages of publication	o909 - o910
a	7.3137 ± 0.0001 Å
b	10.6657 ± 0.0002 Å
c	12.6476 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	986.59 ± 0.03 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for all reflections	0.0871
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	0.9789
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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