Crystallography Open Database

Information card for entry 7224291

Preview

Coordinates	7224291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22
Calculated formula	C30 H22
SMILES	c12ccccc1cc1ccccc1c2/C=C/c1cccc(c1)/C=C/c1ccccc1
Title of publication	Effects of substitution position on crystal packing, polymorphism and crystallization-induced emission of (9-anthryl)vinylstyrylbenzene isomers
Authors of publication	Li, Ye-Xin; Yang, Xiao-Feng; Miao, Jin-Ling; Zhang, Zhen-Wei; Sun, Guo-Xin
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	12
Pages of publication	2098
a	22.1305 ± 0.0004 Å
b	5.90728 ± 0.00009 Å
c	33.8663 ± 0.0006 Å
α	90°
β	106.709 ± 0.0018°
γ	90°
Cell volume	4240.45 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	2
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.122
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
181604 (current)	2016-04-05	cif/ Updating files of 7224291, 7224292, 7224293 Original log message: Adding full bibliography for 7224291--7224293.cif.	7224291.cif
176710	2016-02-18	cif/ Adding structures of 7224291, 7224292, 7224293 via cif-deposit CGI script.	7224291.cif