Crystallography Open Database

Information card for entry 7127240

Preview

Coordinates	7127240.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 Br Cl0 N2 O3
Calculated formula	C23 H17 Br N2 O3
SMILES	Brc1c(nccc1)[C@@]1([C@@H]2C[C@H](OC2=O)c2ccccc2)C(=O)Nc2c1cccc2
Title of publication	Enantioselective dicarbofunctionalization of (<i>E</i>)-alkenyloxindoles with pyridinium salts by chiral Lewis acid/photo relay catalysis.
Authors of publication	Zhang, Dong; Dong, Shunxi; He, Qianwen; Luo, Yao; Liu, Yun; Liu, Xiaohua; Feng, Xiaoming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	84
Pages of publication	12757 - 12760
a	7.7448 ± 0.0013 Å
b	15.656 ± 0.003 Å
c	18.122 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2197.3 ± 0.7 Å³
Cell temperature	235 ± 2 K
Ambient diffraction temperature	235 ± 2 K
Number of distinct elements	6
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	0.0764
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1395
Weighted residual factors for all reflections included in the refinement	0.1792
Goodness-of-fit parameter for all reflections included in the refinement	0.738
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
260688 (current)	2021-01-07	cif/ Updating files of 7127240, 7127241, 7127242, 7127243, 7127244 Original log message: Adding full bibliography for 7127240--7127244.cif.	7127240.cif
256441	2020-09-16	cif/ Adding structures of 7127240, 7127241, 7127242, 7127243, 7127244 via cif-deposit CGI script.	7127240.cif