Crystallography Open Database

Information card for entry 4514611

Preview

Coordinates	4514611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H33 B O4 Si
Calculated formula	C29 H33 B O4 Si
SMILES	[SiH]([C@H]1[C@](C1)(C(=O)OC)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(c1ccccc1)c1ccccc1
Title of publication	Enantioselective Rhodium-Catalyzed Desymmetric Hydrosilylation of Cyclopropenes
Authors of publication	Zhao, Zhi-Yuan; Nie, Yi-Xue; Tang, Ren-He; Yin, Guan-Wu; Cao, Jian; Xu, Zheng; Cui, Yu-Ming; Zheng, Zhan-Jiang; Xu, Li-Wen
Journal of publication	ACS Catalysis
Year of publication	2019
Journal volume	9
Journal issue	10
Pages of publication	9110
a	6.264 ± 0.002 Å
b	9.621 ± 0.004 Å
c	11.639 ± 0.004 Å
α	91.385 ± 0.006°
β	96.47 ± 0.006°
γ	100.453 ± 0.006°
Cell volume	684.7 ± 0.4 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
219796 (current)	2019-10-28	cif/ Adding structures of 4514611 via cif-deposit CGI script.	4514611.cif