Crystallography Open Database

Information card for entry 7123585

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Structure parameters

Chemical name	(E)-2-(4-methylstyryl)quinoline
Formula	C18 H15 N
Calculated formula	C18 H15 N
Title of publication	Nickel-Catalysed Direct α-Olefination of Alkyl Substituted N-Heteroarenes with Alcohols
Authors of publication	Banerjee, Debasis; Das, Jagadish; VELLAKKARAN, MARI
Journal of publication	Chemical Communications
Year of publication	2019
a	5.9624 ± 0.0003 Å
b	8.0092 ± 0.0004 Å
c	28.9234 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	1381.21 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
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	0.1487
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.1735
Weighted residual factors for all reflections included in the refinement	0.2304
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7123585.cif
215643	2019-06-01	cif/ Adding structures of 7123585 via cif-deposit CGI script.	7123585.cif