Crystallography Open Database

Information card for entry 2204285

2204284 << 2204285 >> 2204286

Preview

Structure parameters

Chemical name	(2S,3R,4R,5S)-3,4-O-isopropylidene-2-methyl-6,9-diazo-1-oxaspiro -[4.5]-decane-7,10-dione
Formula	C11 H13 N2 O5
Calculated formula	C11 H13 N2 O5
SMILES	O=C1CNC(=O)[C@@]2(N1)O[C@H]([C@@H]1[C@H]2OC(O1)(C)C)C
Title of publication	(2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-3,4-<i>O</i>-Isopropylidene-2-methyl-1-oxa-6,9-diazaspiro[4.5]decane-7,10-dione
Authors of publication	David J. Watkin; Matthias Müller; Yves Blèriot; Michela I. Simone; George W. J. Fleet
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	10
Pages of publication	o1820 - o1822
a	11.1 ± 0.002 Å
b	7.994 ± 0.002 Å
c	13.895 ± 0.002 Å
α	90°
β	93 ± 0.02°
γ	90°
Cell volume	1231.3 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0733
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for all reflections	0.1392
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1392
Goodness-of-fit parameter for all reflections included in the refinement	1.0722
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Version history is temporarily not available due to server issues.