Crystallography Open Database

Information card for entry 1543428

Preview

Coordinates	1543428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H36 N2 O3 S
Calculated formula	C38 H36 N2 O3 S
SMILES	[C@H]1(c2ccc(cc2)C)N2c3ccc(cc3[C@@]([C@@]2(CN1S(=O)(=O)c1ccc(cc1)C)c1ccccc1)(C)c1ccccc1)OC.[C@@H]1(c2ccc(cc2)C)N2c3ccc(cc3[C@]([C@]2(CN1S(=O)(=O)c1ccc(cc1)C)c1ccccc1)(C)c1ccccc1)OC
Title of publication	Rhodium catalyzed diastereoselective synthesis of 2,2,3,3-tetrasubstituted indolines from N-sulfonyl-1,2,3-triazoles and ortho-vinylanilines
Authors of publication	Yadagiri, Dongari; Reddy, Angula Chandra Shekar; Anbarasan, Pazhamalai
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	9
Pages of publication	5934
a	6.8957 ± 0.0003 Å
b	18.2571 ± 0.0008 Å
c	26.4728 ± 0.0013 Å
α	90°
β	91.3638 ± 0.0019°
γ	90°
Cell volume	3331.9 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1049
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1774
Weighted residual factors for all reflections included in the refinement	0.2138
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
186334 (current)	2016-09-10	cif/ Updating files of 1543428, 1543429 Original log message: Adding full bibliography for 1543428--1543429.cif.	1543428.cif
183366	2016-06-11	cif/ Adding structures of 1543428, 1543429 via cif-deposit CGI script.	1543428.cif