Crystallography Open Database

Information card for entry 7155569

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Structure parameters

Formula	C11 H19 N O2
Calculated formula	C11 H19 N O2
SMILES	O1C(=O)N[C@@H]2[C@H]1CC[C@@H](C2)C(C)(C)C.O1C(=O)N[C@H]2[C@@H]1CC[C@H](C2)C(C)(C)C
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	15.04 ± 0.0004 Å
b	6.0462 ± 0.0002 Å
c	12.0358 ± 0.0003 Å
α	90°
β	93.0384 ± 0.0011°
γ	90°
Cell volume	1092.94 ± 0.05 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1186
Weighted residual factors for all reflections included in the refinement	0.1223
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
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.	7155569.cif
195279	2017-04-08	cif/ Adding structures of 7155568, 7155569 via cif-deposit CGI script.	7155569.cif