Crystallography Open Database

Information card for entry 1541884

Preview

Coordinates	1541884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H28 I N O9
Calculated formula	C24 H28 I N O9
SMILES	Ic1ccc2N(C(=O)[C@@]3(C(C(=O)OC)([C@H]3C(=O)OC(C)(C)C)C(=O)OC)c2c1)C(=O)OC(C)(C)C
Title of publication	Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene
Authors of publication	Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	4
Pages of publication	2717
a	10.52245 ± 0.00015 Å
b	10.52245 ± 0.00015 Å
c	48.9522 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	5420.1 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0614
Weighted residual factors for significantly intense reflections	0.1629
Weighted residual factors for all reflections included in the refinement	0.1685
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
181578 (current)	2016-04-05	cif/ Updating files of 1541883, 1541884 Original log message: Adding full bibliography for 1541883--1541884.cif.	1541884.cif
173488	2016-01-05	cif/ Adding structures of 1541883, 1541884 via cif-deposit CGI script.	1541884.cif