Crystallography Open Database

Information card for entry 7156168

Preview

Coordinates	7156168.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H33 Br O4 S Se
Calculated formula	C33 H33 Br O4 S Se
Title of publication	Enantioselective addition of selenosulfonates to α,β-unsaturated ketones.
Authors of publication	Luo, Shilong; Zhang, Nan; Wang, Zhen; Yan, Hailong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	16
Pages of publication	2893 - 2901
a	7.9327 ± 0.0004 Å
b	18.8397 ± 0.0009 Å
c	22.3499 ± 0.0016 Å
α	90°
β	100.199 ± 0.005°
γ	90°
Cell volume	3287.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1192
Residual factor for significantly intense reflections	0.0676
Weighted residual factors for significantly intense reflections	0.1421
Weighted residual factors for all reflections included in the refinement	0.1658
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
230734 (current)	2019-11-17	cif/ Updating files of 7156168 Original log message: Adding full bibliography for 7156168.cif.	7156168.cif
207072	2018-03-23	cif/ Adding structures of 7156168 via cif-deposit CGI script.	7156168.cif