Crystallography Open Database

Information card for entry 7127242

Preview

Coordinates	7127242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H25 Br N2 O4
Calculated formula	C27 H25 Br N2 O4
SMILES	BrC1=CC=CN2[C@@H](C(=O)c3ccccc3)[C@@H]([C@@]3(C(=O)Nc4c3cccc4)[C@H]12)C(=O)OC(C)(C)C.BrC1=CC=CN2[C@H](C(=O)c3ccccc3)[C@H]([C@]3(C(=O)Nc4c3cccc4)[C@@H]12)C(=O)OC(C)(C)C
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	13.2371 ± 0.0004 Å
b	16.5924 ± 0.0005 Å
c	11.5023 ± 0.0003 Å
α	90°
β	106.316 ± 0.001°
γ	90°
Cell volume	2424.57 ± 0.12 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 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	0.0441
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.1031
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7127242.cif
256441	2020-09-16	cif/ Adding structures of 7127240, 7127241, 7127242, 7127243, 7127244 via cif-deposit CGI script.	7127242.cif