Crystallography Open Database

Information card for entry 1552151

Preview

Coordinates	1552151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H45 B N2
Calculated formula	C48 H45 B N2
SMILES	N(c1ccc(N(c2ccccc2)c2ccccc2)cc1)(c1ccc(cc1)B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1ccccc1
Title of publication	A “simple” donor‒acceptor AIEgen with multi-stimuli responsive behavior
Authors of publication	Zhang, Jing; Li, Aisen; Zou, Hang; Peng, Junhui; Guo, Jiali; Wu, Wenjie; Zhang, Haoke; Zhang, Jun; Gu, Xinggui; Xu, Weiqing; Xu, Shuping; Liu, Sheng Hua; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong
Journal of publication	Materials Horizons
Year of publication	2020
Journal volume	7
Journal issue	1
Pages of publication	135 - 142
a	7.5979 ± 0.0002 Å
b	32.4387 ± 0.0006 Å
c	16.8075 ± 0.0004 Å
α	90°
β	115.761 ± 0.002°
γ	90°
Cell volume	3730.78 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0755
Residual factor for significantly intense reflections	0.0592
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1638
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
258152 (current)	2020-10-06	cif/ Updating files of 1552151 Original log message: Adding full bibliography for 1552151.cif.	1552151.cif
247841	2020-02-04	cif/ Updating files of 1552151 Original log message: Adding full bibliography for 1552151.cif.	1552151.cif
217425	2019-08-06	cif/ Adding structures of 1552151 via cif-deposit CGI script.	1552151.cif