Crystallography Open Database

Information card for entry 7155568

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Structure parameters

Formula	C10 H11 N O2
Calculated formula	C10 H11 N O2
SMILES	O1C(=O)N[C@@H]([C@H]1C)c1ccccc1.O1C(=O)N[C@H]([C@@H]1C)c1ccccc1
Title of publication	Synthesis of Oxazolidinones: Rhodium-Catalyzed C–H Amination of N-Mesyloxycarbamates.
Authors of publication	Lebel, Helene; Mamani Laparra, Laura; Khalifa, Maroua; Trudel, Carl; Audubert, Clément; Szponarski, Mathieu; Dicaire-Leduc, Cédric; Azek, Emna; Ernzerhof, Matthias
Journal of publication	Org. Biomol. Chem.
Year of publication	2017
a	14.32966 ± 0.00013 Å
b	8.77119 ± 0.00008 Å
c	14.61018 ± 0.00013 Å
α	90°
β	90°
γ	90°
Cell volume	1836.33 ± 0.03 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0281
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7155568.cif
195279	2017-04-08	cif/ Adding structures of 7155568, 7155569 via cif-deposit CGI script.	7155568.cif