Crystallography Open Database

Information card for entry 1541883

Preview

Coordinates	1541883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H22 O4
Calculated formula	C14 H22 O4
SMILES	O=C1CCC([C@@]23[C@@]1(OO[C@@H](C2)[C@H](O)CC3)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	7.2942 ± 0.0011 Å
b	12.3961 ± 0.0018 Å
c	13.909 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1257.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
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	0.0328
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0751
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
181578 (current)	2016-04-05	cif/ Updating files of 1541883, 1541884 Original log message: Adding full bibliography for 1541883--1541884.cif.	1541883.cif
173488	2016-01-05	cif/ Adding structures of 1541883, 1541884 via cif-deposit CGI script.	1541883.cif