Crystallography Open Database

Information card for entry 7218116

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Structure parameters

Formula	C15 H18 N2 O
Calculated formula	C15 H18 N2 O
SMILES	C1(=O)[C@](c2c(cccc2)N1C)(C)CC(C)(C)C#N
Title of publication	Copper-catalyzed cyanoalkylarylation of activated alkenes with AIBN: a convenient and efficient approach to cyano-containing oxindoles
Authors of publication	Wang, Hua; Wei, Wei; Wen, Jiangwei; Yang, Daoshan; Guo, Mengyuan; Tian, Laijin; You, Jinmao
Journal of publication	RSC Adv.
Year of publication	2014
a	10.047 ± 0.002 Å
b	11.306 ± 0.002 Å
c	12.199 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1385.7 ± 0.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0496
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7218116.cif
180512	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/81.	7218116.cif
123815	2014-09-13	cif/ Adding structures of 7218116 via cif-deposit CGI script.	7218116.cif