Crystallography Open Database

Information card for entry 1564335

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Coordinates	1564335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H22 Cl N O Si
Calculated formula	C24 H22 Cl N O Si
SMILES	Clc1cc2N(Cc3ccccc3)C(=O)C3(c4c([Si](C)(C3)C)cccc4)c2cc1
Title of publication	Me3SiSiMe2(OnBu): a disilane reagent for the synthesis of diverse silacycles via Brook- and retro-Brook-type rearrangement
Authors of publication	Xu, Yankun; Xu, Weiwei; Chen, Xinyang; Luo, Xiai; Lu, Haiyan; Zhang, Minghao; Yang, Xiumei; Deng, Guobo; Liang, Yun; Yang, Yuan
Journal of publication	Chemical Science
Year of publication	2021
a	8.468 ± 0.007 Å
b	10.762 ± 0.009 Å
c	13.404 ± 0.011 Å
α	112.361 ± 0.01°
β	99.502 ± 0.011°
γ	100.767 ± 0.011°
Cell volume	1071.7 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0754
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1552
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
267999 (current)	2021-08-10	cif/ Adding structures of 1564334, 1564335, 1564336 via cif-deposit CGI script.	1564335.cif