Crystallography Open Database

Information card for entry 1564336

Preview

Coordinates	1564336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 F N Si
Calculated formula	C20 H20 F N Si
SMILES	[Si]1(C)(CC2(Cn3c4c(cc(F)cc4)cc3c3c2c1ccc3)C)C
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	12.1901 ± 0.0007 Å
b	10.4424 ± 0.0006 Å
c	26.468 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3369.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0552
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	1564336.cif