Crystallography Open Database

Information card for entry 7117447

Preview

Coordinates	7117447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H29 N O6
Calculated formula	C22 H29 N O6
SMILES	O(C(=O)[C@H]1c2c(O[C@@H](OCC(C)C)C1)n(C(=O)OC(C)(C)C)c1c2cccc1)C
Title of publication	The N,N'-dioxide/Ni(ii)-catalyzed asymmetric inverse-electron-demand hetero-Diels-Alder reaction of methyleneindolinones with hetero-substituted alkenes.
Authors of publication	Zhou, Yuhang; Lin, Lili; Yin, Chengkai; Wang, Zhengmeng; Liu, Xiaohua; Feng, Xiaoming
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2015
Journal volume	51
Journal issue	58
Pages of publication	11689 - 11692
a	8.4147 ± 0.00008 Å
b	11.96874 ± 0.00011 Å
c	21.5473 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2170.1 ± 0.04 Å³
Cell temperature	121 ± 2 K
Ambient diffraction temperature	121 ± 2 K
Number of distinct elements	4
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	0.0469
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1213
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
141480 (current)	2015-07-09	cif/ Adding structures of 7117447 via cif-deposit CGI script.	7117447.cif