Crystallography Open Database

Information card for entry 7234865

Preview

Coordinates	7234865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H35 Cl3 N O3
Calculated formula	C37 H35 Cl3 N O3
SMILES	ClC(Cl)Cl.O=C1c2ccccc2C([O-])=C1c1cc([n+](c(c1)/C=C/c1ccc(cc1)C)CCCC)/C=C/c1ccc(cc1)C.O
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	8.5014 ± 0.0004 Å
b	12.7359 ± 0.0006 Å
c	16.5492 ± 0.0008 Å
α	109.704 ± 0.002°
β	97.327 ± 0.002°
γ	95.42 ± 0.002°
Cell volume	1654.91 ± 0.14 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1711
Residual factor for significantly intense reflections	0.0869
Weighted residual factors for significantly intense reflections	0.226
Weighted residual factors for all reflections included in the refinement	0.2588
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7234865.cif