Crystallography Open Database

Information card for entry 7155295

Preview

Coordinates	7155295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H35 F N2 O4
Calculated formula	C39 H35 F N2 O4
SMILES	Fc1ccc2N(Cc3ccccc3)C(=O)[C@](c2c1)([C@@H](O)C(=O)OCC)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1.Fc1ccc2N(Cc3ccccc3)C(=O)[C@@](c2c1)([C@H](O)C(=O)OCC)c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1
Title of publication	A Rh(ii)-catalyzed three-component reaction of 3-diazooxindoles with N,N-disubstituted anilines and glyoxylates for the synthesis of 3-aryl-3-substituted oxindoles.
Authors of publication	Jia, Shi-Kun; Song, Long-Long; Lei, Yu-Bing; Gopi Krishna Reddy, A.; Xing, Dong; Hu, Wen-Hao
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	43
Pages of publication	10157 - 10160
a	12.3506 ± 0.0005 Å
b	15.093 ± 0.0006 Å
c	17.7124 ± 0.0007 Å
α	90°
β	100.508 ± 0.002°
γ	90°
Cell volume	3246.4 ± 0.2 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1551
Residual factor for significantly intense reflections	0.0818
Weighted residual factors for significantly intense reflections	0.2286
Weighted residual factors for all reflections included in the refinement	0.2925
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
188292 (current)	2016-11-08	cif/ Updating files of 7155295 Original log message: Adding full bibliography for 7155295.cif.	7155295.cif
186927	2016-10-05	cif/ Adding structures of 7155295 via cif-deposit CGI script.	7155295.cif