Crystallography Open Database

Information card for entry 4124942

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Structure parameters

Formula	C20 H20 Br N Si
Calculated formula	C20 H20 Br N Si
SMILES	N(c1cc(Br)c([SiH](c2ccccc2)c2ccccc2)cc1)(C)C
Title of publication	Boron-Catalyzed Aromatic C-H Bond Silylation with Hydrosilanes.
Authors of publication	Ma, Yuanhong; Wang, Baoli; Zhang, Liang; Hou, Zhaomin
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	11
Pages of publication	3663 - 3666
a	10.2159 ± 0.0005 Å
b	9.57 ± 0.0004 Å
c	19.2612 ± 0.001 Å
α	90°
β	93.705 ± 0.002°
γ	90°
Cell volume	1879.16 ± 0.16 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.0806
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
301834 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure.	4124942.cif
181434	2016-04-04	cif/ Updating files of 4124942 Original log message: Adding full bibliography for 4124942.cif.	4124942.cif
178100	2016-03-11	cif/ Adding structures of 4124942 via cif-deposit CGI script.	4124942.cif