Crystallography Open Database

Information card for entry 7128806

Preview

Coordinates	7128806.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 N2 O8
Calculated formula	C26 H32 N2 O8
SMILES	O(C(C)(C)C)C(=O)N1C(=O)[C@]2([C@H](C(=O)OC(C)(C)C)[C@@]3(O[C@]2(N(C)C3=O)C)C(=O)C)c2c1cccc2
Title of publication	Catalytic asymmetric [3+2] cycloaddition of isomünchnones with methyleneindolinones
Authors of publication	Wang, Kaixuan; Xu, Chaoran; Hu, Xinyue; Zhou, Yuqiao; Lin, Lili; Feng, Xiaoming
Journal of publication	Chemical Communications
Year of publication	2021
Journal volume	57
Journal issue	71
Pages of publication	8917 - 8920
a	10.2902 ± 0.0003 Å
b	13.8257 ± 0.0004 Å
c	18.5139 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2633.96 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0278
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
269662 (current)	2021-10-06	cif/ Updating files of 7128806, 7128807 Original log message: Adding full bibliography for 7128806--7128807.cif.	7128806.cif
268066	2021-08-14	cif/ Adding structures of 7128806, 7128807 via cif-deposit CGI script.	7128806.cif