Crystallography Open Database

Information card for entry 7157342

Preview

Coordinates	7157342.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(2'S,3R,3'S)-3'-(2-Bromophenyl)-1''-phenyldispiro[indoline-3,1'-cyclopropane-2',3''-pyrrolidine]-2,4'',5''-trione
Formula	C25 H17 Br N2 O3
Calculated formula	C25 H17 Br N2 O3
Title of publication	Squaramide-catalysed asymmetric cascade reactions of 2,3-dioxopyrrolidines with 3-chlorooxindoles.
Authors of publication	Wen, Jiang-Bo; Du, Da-Ming
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	8
Pages of publication	1647 - 1656
a	8.0885 ± 0.0016 Å
b	14.698 ± 0.003 Å
c	8.985 ± 0.0018 Å
α	90°
β	101.21 ± 0.03°
γ	90°
Cell volume	1047.8 ± 0.4 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0789
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
249020 (current)	2020-03-05	cif/ Updating files of 7157342 Original log message: Adding full bibliography for 7157342.cif.	7157342.cif
247542	2020-02-04	cif/ Adding structures of 7157342 via cif-deposit CGI script.	7157342.cif