Crystallography Open Database

Information card for entry 7234910

Preview

Coordinates	7234910.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H60 B2 Si
Calculated formula	C54 H60 B2 Si
SMILES	[Si]1(C(=C(C(=C1B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1ccccc1)c1ccccc1)B(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C)C
Title of publication	Insights into the correlation between the molecular conformational change and AIE activity of 2,5-bis(dimesitylboryl)-3,4-diphenylsiloles
Authors of publication	Bin Chen; Han Nie; Rongrong Hu; Anjun Qin; Zujin Zhao; Ben Zhong Tang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	7541 - 7545
a	20.8899 ± 0.0013 Å
b	20.488 ± 0.001 Å
c	23.843 ± 0.002 Å
α	90°
β	106.869 ± 0.008°
γ	90°
Cell volume	9765.5 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 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	0.1378
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.191
Weighted residual factors for all reflections included in the refinement	0.2273
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
222582 (current)	2019-11-04	cif/ Adding structures of 7234910 via cif-deposit CGI script.	7234910.cif