Crystallography Open Database

Information card for entry 7234641

Preview

Coordinates	7234641.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H43 N5
Calculated formula	C52 H43 N5
SMILES	n1(c2ccc(cc2)/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)C#N)c(nc(c1c1ccccc1)c1ccccc1)c1ccc(cc1)N(CC)CC
Title of publication	Aggregation-induced emission enhancement and mechanofluorochromic properties of alpha-cyanostilbene functionalized tetraphenyl imidazole derivatives
Authors of publication	Yuyang Zhang; Huifang Li; Gaobin Zhang; Xianyun Xu; Lin Kong; Xutang Tao; Yupeng Tian; Jiaxiang Yang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	2971 - 2978
a	14.689 ± 0.005 Å
b	18.897 ± 0.005 Å
c	15.282 ± 0.005 Å
α	90 ± 0.005°
β	98.117 ± 0.005°
γ	90 ± 0.005°
Cell volume	4199 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.1589
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1481
Weighted residual factors for all reflections included in the refinement	0.2073
Goodness-of-fit parameter for all reflections included in the refinement	0.94
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219366 (current)	2019-10-15	cif/ Adding structures of 7234641, 7234642 via cif-deposit CGI script.	7234641.cif