Crystallography Open Database

Information card for entry 1559392

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Structure parameters

Formula	C38 H34 N2 O2 Si
Calculated formula	C38 H34 N2 O2 Si
SMILES	[Si]1(c2ccccc2C(=C1c1ccc(cc1)C#N)c1ccc(cc1)C#N)(c1ccccc1)c1ccccc1.OCC.OCC
Title of publication	Aggregation-Induced Electrochemiluminescence of Tetraphenylbenzosilole Derivatives in an Aqueous Phase System for Ultrasensitive Detection of Hexavalent Chromium.
Authors of publication	Guo, Jinna; Feng, Weiqiang; Du, Peiyao; Zhang, Ruizhong; Liu, Jia; Liu, Yu; Wang, Zhiming; Lu, Xiaoquan
Journal of publication	Analytical chemistry
Year of publication	2020
Journal volume	92
Journal issue	21
Pages of publication	14838 - 14845
a	24.8883 ± 0.0007 Å
b	7.2668 ± 0.0003 Å
c	34.9364 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	6318.5 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0805
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.175
Weighted residual factors for all reflections included in the refinement	0.1898
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1559392.cif
258705	2020-11-04	cif/ Updating files of 1559392 Original log message: Adding full bibliography for 1559392.cif.	1559392.cif
258530	2020-10-22	cif/ Adding structures of 1559392 via cif-deposit CGI script.	1559392.cif