Crystallography Open Database

Information card for entry 4105511

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Structure parameters

Formula	C20 H21 N O2
Calculated formula	C20 H21 N O2
SMILES	C1(=O)CCC(=C\c2ccccc2)/N1CCc1cc(ccc1)OC
Title of publication	Cobalt-Catalyzed Regioselective Synthesis of Pyrrolidinone Derivatives by Reductive Coupling of Nitriles and Acrylamides
Authors of publication	Ying-Chieh Wong; Kanniyappan Parthasarathy; Chien-Hong Cheng
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	18252 - 18253
a	26.0513 ± 0.0016 Å
b	8.7146 ± 0.0005 Å
c	17.4785 ± 0.0011 Å
α	90°
β	125.185 ± 0.001°
γ	90°
Cell volume	3243.1 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1116
Weighted residual factors for all reflections included in the refinement	0.1253
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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