Crystallography Open Database

Information card for entry 7052843

Preview

Coordinates	7052843.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C127.5 H84 Cl N4 O0.8
Calculated formula	C127.5 H84 Cl N4 O0.8
Title of publication	Piezofluorochromism and morphology of a new aggregation-induced emission compound derived from tetraphenylethylene and carbazole
Authors of publication	Zhou, Xie; Li, Haiyin; Chi, Zhenguo; Zhang, Xiqi; Zhang, Jianyong; Xu, Bingjia; Zhang, Yi; Liu, Siwei; Xu, Jiarui
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	3
Pages of publication	685
a	11.0164 ± 0.0017 Å
b	11.8961 ± 0.0018 Å
c	18.841 ± 0.003 Å
α	81.814 ± 0.003°
β	84.93 ± 0.003°
γ	69.902 ± 0.003°
Cell volume	2293.1 ± 0.6 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.1071
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1601
Weighted residual factors for all reflections included in the refinement	0.1972
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7052843.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052843.cif
37626	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7052843 via cif-deposit CGI script.	7052843.cif