Crystallography Open Database

Information card for entry 2243868

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Structure parameters

Chemical name	2-oxo-2-phenylethyl diisopropylcarbamate
Formula	C15 H21 N O3
Calculated formula	C15 H21 N O3
SMILES	O=C(COC(=O)N(C(C)C)C(C)C)c1ccccc1
Title of publication	Crystal structure of 2-oxo-2-phenylethyl diisopropylcarbamate
Authors of publication	Martens, Viktor; Görls, Helmar; Imhof, Wolfgang
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	8
Pages of publication	785 - 787
a	18.4574 ± 0.0008 Å
b	5.702 ± 0.0002 Å
c	14.8058 ± 0.0006 Å
α	90°
β	113.468 ± 0.001°
γ	90°
Cell volume	1429.33 ± 0.1 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 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	0.0718
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
267525 (current)	2021-07-14	cif/ hkl/ Adding structures of 2243868 via cif-deposit CGI script.	2243868.cif 2243868.hkl