Crystallography Open Database

Information card for entry 7233414

Preview

Coordinates	7233414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H39 N O4 Si2
Calculated formula	C39 H39 N O4 Si2
Title of publication	Asymmetric retro-[1,4]-Brook rearrangement of 3-silyl allyloxysilanes via chirality transfer from silicon to carbon
Authors of publication	Wu, Ya; Chen, Hua; Yang, Wenyu; Fan, Yu; Gao, Lu; Su, Zhishan; Hu, Changwei; Song, Zhenlei
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	45
Pages of publication	26209
a	10.0776 ± 0.0008 Å
b	11.8793 ± 0.001 Å
c	16.4275 ± 0.0009 Å
α	95.541 ± 0.005°
β	104.025 ± 0.006°
γ	112.585 ± 0.008°
Cell volume	1721.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1051
Weighted residual factors for all reflections included in the refinement	0.1174
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
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
217655 (current)	2019-08-22	cif/ Adding structures of 7233414, 7233415 via cif-deposit CGI script.	7233414.cif