Crystallography Open Database

Information card for entry 7234862

Preview

Coordinates	7234862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 N O2
Calculated formula	C20 H21 N O2
SMILES	O=C1c2c(cccc2)C([O-])=C1c1cc([n+](c(c1)C)CCCC)C
Title of publication	The effect of N-alkyl chain length on the photophysical properties of indene-1,3-dionemethylene-1,4-dihydropyridine derivatives
Authors of publication	Yanze Liu; Yunxiang Lei; Miaochang Liu; Fei Li; Hongping Xiao; Jiuxi Chen; Xiaobo Huang; Wenxia Gao; Huayue Wu; Yixiang Cheng
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	5970 - 5980
a	9.2347 ± 0.001 Å
b	15.8096 ± 0.0017 Å
c	12.127 ± 0.001 Å
α	90°
β	113.975 ± 0.006°
γ	90°
Cell volume	1617.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0393
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.1104
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

Version history

Revision	Date	Message	Files
220538 (current)	2019-10-30	cif/ Adding structures of 7234862, 7234863, 7234864, 7234865 via cif-deposit CGI script.	7234862.cif