Crystallography Open Database

Information card for entry 7157772

Preview

Coordinates	7157772.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H39 N3 O8
Calculated formula	C43 H39 N3 O8
SMILES	C1(=O)[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@@]1(C(=O)N(c3c1cccc3)C(=O)OC(C)(C)C)[C@@]1([C@@H]2c2ccccc2)C(=O)N(c2c1cccc2)C(=O)OC(C)(C)C.C1(=O)[C@@H]2[C@H](C(=O)N1c1ccccc1)[C@]1(C(=O)N(c3c1cccc3)C(=O)OC(C)(C)C)[C@]1([C@H]2c2ccccc2)C(=O)N(c2c1cccc2)C(=O)OC(C)(C)C
Title of publication	A base-catalyzed domino reaction between isoindigos and α-alkylidene succinimides-convenient preparation of highly steric bispirooxindoles.
Authors of publication	Li, Chen-Yi; Xiang, Min; Song, Xiang-Jia; Zou, Ying; Huang, Zhi-Cheng; Li, Xia; Tian, Fang; Wang, Li-Xin
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	46
Pages of publication	9511 - 9515
a	41.0905 ± 0.0009 Å
b	12.1637 ± 0.00011 Å
c	21.1598 ± 0.0005 Å
α	90°
β	134.872 ± 0.004°
γ	90°
Cell volume	7495 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1307
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
260810 (current)	2021-01-07	cif/ Updating files of 7157772 Original log message: Adding full bibliography for 7157772.cif.	7157772.cif
259453	2020-12-02	cif/ Adding structures of 7157772 via cif-deposit CGI script.	7157772.cif