Crystallography Open Database

Information card for entry 7128110

Preview

Coordinates	7128110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 Cl N O2
Calculated formula	C28 H24 Cl N O2
SMILES	Clc1c2N(Cc3ccccc3)C(=O)[C@@]3(c2ccc1)[C@H](c1ccccc1)[C@H]([C@H](C3)C=C)C=O.Clc1c2N(Cc3ccccc3)C(=O)[C@]3(c2ccc1)[C@@H](c1ccccc1)[C@@H]([C@@H](C3)C=C)C=O
Title of publication	Enantioselective formal [3+2]-cycloadditions to access spirooxindoles bearing four contiguous stereocenters through synergistic catalysis.
Authors of publication	Xiao, Jun-An; Li, Jin-Lian; Cheng, Xiu-Liang; Chen, Kai; Peng, Hai; Chen, Wen-Qiang; Su, Wei; Huang, Yan-Min; Yang, Hua
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	36
Pages of publication	4456 - 4459
a	9.517 ± 0.0005 Å
b	16 ± 0.0008 Å
c	14.7989 ± 0.0008 Å
α	90°
β	97.614 ± 0.002°
γ	90°
Cell volume	2233.6 ± 0.2 Å³
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.131
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7128110.cif
265894	2021-06-05	cif/ Updating files of 7128109, 7128110, 7128111 Original log message: Adding full bibliography for 7128109--7128111.cif.	7128110.cif
263464	2021-03-31	cif/ Adding structures of 7128109, 7128110, 7128111 via cif-deposit CGI script.	7128110.cif