Crystallography Open Database

Information card for entry 7156075

Preview

Coordinates	7156075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H35 Cl N2 O8
Calculated formula	C37 H35 Cl N2 O8
SMILES	Clc1ccc([C@H]2[C@]3([C@]4(C(=O)N(C(=O)OC(C)(C)C)c5ccccc45)C=C2C(=O)OC)C(=O)N(C(=O)OC(C)(C)C)c2c3cccc2)cc1.Clc1ccc([C@@H]2[C@@]3([C@@]4(C(=O)N(C(=O)OC(C)(C)C)c5ccccc45)C=C2C(=O)OC)C(=O)N(C(=O)OC(C)(C)C)c2c3cccc2)cc1
Title of publication	Effective and diastereoselective preparation of dispiro[cyclopent-3'-ene]bisoxindoles via novel [3 + 2] annulation of isoindigos and MBH carbonates.
Authors of publication	Ren, Hong-Xia; Peng, Lin; Song, Xiang-Jia; Liao, Li-Guo; Zou, Ying; Tian, Fang; Wang, Li-Xin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	8
Pages of publication	1297 - 1304
a	15.05 ± 0.0015 Å
b	15.9438 ± 0.0016 Å
c	15.0274 ± 0.0015 Å
α	90°
β	113.382 ± 0.002°
γ	90°
Cell volume	3309.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0506
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1126
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
230646 (current)	2019-11-17	cif/ Updating files of 7156075 Original log message: Adding full bibliography for 7156075.cif.	7156075.cif
205486	2018-01-23	cif/ Adding structures of 7156075 via cif-deposit CGI script.	7156075.cif