Crystallography Open Database

Information card for entry 7156906

Preview

Coordinates	7156906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H47 N O11 S
Calculated formula	C37 H47 N O11 S
Title of publication	Asymmetric kinetic resolution of sulfides for the construction of unsymmetric sulfides and chiral 3,3-disubstituted oxindoles.
Authors of publication	Wang, Kaiye; Xiang, Yanan; Shi, Zhujun; Wang, Hongyu; Li, Na; Tang, Bo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	26
Pages of publication	6351 - 6354
a	10.2529 ± 0.0002 Å
b	11.3156 ± 0.0003 Å
c	39.0323 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4528.44 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0726
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.174
Weighted residual factors for all reflections included in the refinement	0.1793
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225124 (current)	2019-11-08	cif/ Updating files of 7156906 Original log message: Adding full bibliography for 7156906.cif.	7156906.cif
215861	2019-06-12	cif/ Adding structures of 7156906 via cif-deposit CGI script.	7156906.cif