Crystallography Open Database

Information card for entry 1546406

Preview

Coordinates	1546406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H38
Calculated formula	C45 H38
SMILES	c1c2c(ccc1)c1ccc(cc1C2(C)C)c1ccc2c3ccc(c4ccc5c6ccccc6C(c5c4)(C)C)cc3C(c2c1)(C)C
Title of publication	Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors
Authors of publication	Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2017
Journal volume	121
Journal issue	27
Pages of publication	14803
a	8.6787 ± 0.0008 Å
b	23.1736 ± 0.0019 Å
c	16.1895 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3256 ± 0.5 Å³
Cell temperature	298 K
Ambient diffraction temperature	298.41 K
Number of distinct elements	2
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0708
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1008
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
200717 (current)	2017-09-12	cif/ Updating files of 1546404, 1546405, 1546406 Original log message: Adding full bibliography for 1546404--1546406.cif.	1546406.cif
198176	2017-06-28	cif/ Adding structures of 1546406 via cif-deposit CGI script.	1546406.cif