Crystallography Open Database

Information card for entry 7246405

Preview

Coordinates	7246405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 B Br
Calculated formula	C32 H30 B Br
SMILES	B(c1cccc(Br)c1C#Cc1ccccc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane
Authors of publication	Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	15
Pages of publication	2204 - 2212
a	12.1948 ± 0.00012 Å
b	14.5982 ± 0.00014 Å
c	15.13607 ± 0.00015 Å
α	90°
β	90°
γ	90°
Cell volume	2694.56 ± 0.05 Å³
Cell temperature	275.58 ± 0.1 K
Ambient diffraction temperature	275.58 ± 0.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0861
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
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
283214 (current)	2023-05-05	cif/ Updating files of 7246404, 7246405, 7246406, 7246407, 7246408, 7246409, 7246410 Original log message: Adding full bibliography for 7246404--7246410.cif.	7246405.cif
281713	2023-03-08	cif/ Adding structures of 7246404, 7246405, 7246406, 7246407, 7246408, 7246409, 7246410 via cif-deposit CGI script.	7246405.cif