Crystallography Open Database

Information card for entry 7238530

Preview

Coordinates	7238530.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H27
Calculated formula	C39 H27
Title of publication	Conformation twisting induced orientational disorder, polymorphism and solid-state emission properties of 1-(9-anthryl)-2-(1-naphthyl)ethylene
Authors of publication	Li, Ye-Xin; Zhou, Hong-Bo; Miao, Jin-Ling; Sun, Guo-Xin; Li, Guo-Bao; Nie, Yong; Chen, Chang-Long; Chen, Zhi; Tao, Xu-Tang
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	23
Pages of publication	8286
a	6.6211 ± 0.0004 Å
b	12.0765 ± 0.0008 Å
c	17.3375 ± 0.0011 Å
α	105.37 ± 0.006°
β	90.852 ± 0.005°
γ	91.274 ± 0.005°
Cell volume	1336.08 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1193
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.1495
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
244203 (current)	2019-11-28	cif/ Adding structures of 7238530, 7238531, 7238532 via cif-deposit CGI script.	7238530.cif