Crystallography Open Database

Information card for entry 1564687

Preview

Coordinates	1564687.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H16 Br2
Calculated formula	C21 H16 Br2
SMILES	Brc1ccc(cc1)C(=C(c1ccccc1)C)c1ccc(Br)cc1
Title of publication	Multi-photoresponsive triphenylethylene derivatives with photochromism, photodeformation and room temperature phosphorescence.
Authors of publication	Fan, Yunhao; Han, Mengmeng; Huang, Arui; Liao, Qiuyan; Tu, Jin; Liu, Xiuxing; Huang, Bohan; Li, Qianqian; Li, Zhen
Journal of publication	Materials horizons
Year of publication	2022
Journal volume	9
Journal issue	1
Pages of publication	368 - 375
a	12.88 ± 0.009 Å
b	8.745 ± 0.006 Å
c	18.874 ± 0.01 Å
α	90°
β	121.39 ± 0.03°
γ	90°
Cell volume	1815 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	3
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	0.2159
Residual factor for significantly intense reflections	0.1325
Weighted residual factors for significantly intense reflections	0.2379
Weighted residual factors for all reflections included in the refinement	0.2764
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
272792 (current)	2022-02-04	cif/ Updating files of 1564683, 1564684, 1564685, 1564686, 1564687, 1564688 Original log message: Adding full bibliography for 1564683--1564688.cif.	1564687.cif
269203	2021-09-18	cif/ Adding structures of 1564683, 1564684, 1564685, 1564686, 1564687, 1564688 via cif-deposit CGI script.	1564687.cif