Crystallography Open Database

Information card for entry 1543332

Preview

Coordinates	1543332.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27 N O4 S
Calculated formula	C29 H27 N O4 S
SMILES	c1cc(OC)ccc1[C@]1(NS(=O)(=O)Oc2ccccc12)C[C@@H](c1ccccc1C)c1ccccc1
Title of publication	Construction of Cyclic Sulfamidates Bearing Two gem-Diaryl Stereocenters through a Rhodium-Catalyzed Stepwise Asymmetric Arylation Protocol.
Authors of publication	Zhang, Yu-Fang; Chen, Diao; Chen, Wen-Wen; Xu, Ming-Hua
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	11
Pages of publication	2726 - 2729
a	8.3536 ± 0.001 Å
b	13.8716 ± 0.0016 Å
c	21.444 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2484.9 ± 0.5 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 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	0.0588
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
187971 (current)	2016-11-06	cif/ Updating files of 1543332 Original log message: Adding full bibliography for 1543332.cif.	1543332.cif
182993	2016-05-18	cif/ Adding structures of 1543332 via cif-deposit CGI script.	1543332.cif