Crystallography Open Database

Information card for entry 4037623

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Structure parameters

Formula	C32 H22 F2 Si
Calculated formula	C32 H22 F2 Si
SMILES	[Si]1(c2c(C(=C1c1ccc(F)cc1)c1ccc(F)cc1)cccc2)(c1ccccc1)c1ccccc1
Title of publication	Tetraphenylbenzosilole: An AIE Building Block for Deep-blue Emitters with High Performance in Non-doped Spin-coating OLEDs.
Authors of publication	Feng, Weiqiang; Su, Qiang; Ma, Yao; Dzolic, Zoran; Huang, Fei; Wang, Zhiming; Chen, Shuming; Tang, Ben Zhong
Journal of publication	The Journal of organic chemistry
Year of publication	2019
a	7.2092 ± 0.0001 Å
b	10.1801 ± 0.0002 Å
c	17.1836 ± 0.0004 Å
α	81.981 ± 0.002°
β	79.04 ± 0.002°
γ	82.22 ± 0.002°
Cell volume	1218.29 ± 0.04 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4037623.cif
243752	2019-11-27	cif/ Adding structures of 4037623 via cif-deposit CGI script.	4037623.cif