Crystallography Open Database

Information card for entry 7234642

Preview

Coordinates	7234642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H34 N4 O
Calculated formula	C48 H34 N4 O
SMILES	Oc1c(c2nc(c(n2c2ccc(C(=C\c3ccc(N(c4ccccc4)c4ccccc4)cc3)\C#N)cc2)c2ccccc2)c2ccccc2)cccc1
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	9.8096 ± 0.0014 Å
b	14.224 ± 0.002 Å
c	14.627 ± 0.002 Å
α	88.198 ± 0.002°
β	83.699 ± 0.002°
γ	71.647 ± 0.002°
Cell volume	1925.4 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1605
Residual factor for significantly intense reflections	0.0784
Weighted residual factors for significantly intense reflections	0.2192
Weighted residual factors for all reflections included in the refinement	0.2577
Goodness-of-fit parameter for all reflections included in the refinement	1.193
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
219366 (current)	2019-10-15	cif/ Adding structures of 7234641, 7234642 via cif-deposit CGI script.	7234642.cif