Crystallography Open Database

Information card for entry 4003182

Preview

Coordinates	4003182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H28
Calculated formula	C40 H28
SMILES	C1(c2ccccc2C(c2ccccc12)=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1
Title of publication	Polymorphism-Dependent and Switchable Emission of Butterfly-Like Bis(diarylmethylene)dihydroanthracenes
Authors of publication	He, Zikai; Zhang, Liuqing; Mei, Ju; Zhang, Tian; Lam, Jacky W. Y.; Shuai, Zhigang; Dong, Yong Qiang; Tang, Ben Zhong
Journal of publication	Chemistry of Materials
Year of publication	2015
Journal volume	27
Journal issue	19
Pages of publication	6601
a	9.0462 ± 0.0001 Å
b	22.0677 ± 0.0002 Å
c	14.1102 ± 0.0001 Å
α	90°
β	91.134 ± 0.001°
γ	90°
Cell volume	2816.25 ± 0.04 Å³
Cell temperature	173 ± 0.14 K
Ambient diffraction temperature	173 ± 0.14 K
Number of distinct elements	2
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	0.0407
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
231415 (current)	2019-11-22	cif/ Adding structures of 4003182 via cif-deposit CGI script.	4003182.cif