Crystallography Open Database

Information card for entry 2217878

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Structure parameters

Chemical name	(4S)-Benzyl 4-isopropyl-5-oxo-1,3-oxazolidine-3-carboxylate
Formula	C14 H17 N O4
Calculated formula	C14 H17 N O4
SMILES	O1CN([C@H](C1=O)C(C)C)C(=O)OCc1ccccc1
Title of publication	(4<i>S</i>)-Benzyl 4-isopropyl-5-oxo-1,3-oxazolidine-3-carboxylate
Authors of publication	Wu, Jian-Bin; Lin, Kan; Guo, Jian-Nan; Tang, Guo; Zhao, Yu-Fen
Journal of publication	Acta Crystallographica Section E
Year of publication	2008
Journal volume	64
Journal issue	4
Pages of publication	o685
a	6.0528 ± 0.0002 Å
b	13.1581 ± 0.0005 Å
c	16.6778 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1328.28 ± 0.08 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 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	0.0367
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0596
Weighted residual factors for all reflections included in the refinement	0.062
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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