Crystallography Open Database

Information card for entry 8000394

Preview

Coordinates	8000394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C202 H181 N10 S
Calculated formula	C202 H180.994 N10 S1.0064
Title of publication	Polarized Species in an Organic Semiconductor Laser.
Authors of publication	Zhou, Xuehong; Zhao, Manlin; Zhou, Jiadong; Liu, Linlin; Ma, Yuguang
Journal of publication	The journal of physical chemistry letters
Year of publication	2019
Journal volume	10
Journal issue	24
Pages of publication	7905 - 7909
a	35.5019 ± 0.0005 Å
b	16.1885 ± 0.0002 Å
c	33.0801 ± 0.0005 Å
α	90°
β	112.283 ± 0.002°
γ	90°
Cell volume	17592.1 ± 0.5 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0516
Weighted residual factors for significantly intense reflections	0.1528
Weighted residual factors for all reflections included in the refinement	0.1575
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
246580 (current)	2020-01-04	cif/ Updating files of 8000394 Original log message: Adding full bibliography for 8000394.cif.	8000394.cif
245177	2019-12-14	cif/ Adding structures of 8000394 via cif-deposit CGI script.	8000394.cif