Crystallography Open Database

Information card for entry 1553872

Preview

Coordinates	1553872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 I N3 O5
Calculated formula	C30 H30 I N3 O5
SMILES	Ic1ccc2N(C(=O)[C@](NC(=O)OC(C)(C)C)(c2c1)[C@H](N=C(c1ccccc1)c1ccccc1)C(=O)OC)C
Title of publication	A copper(i)-catalyzed asymmetric Mannich reaction of glycine Schiff bases with isatin-derived ketimines: enantioselective synthesis of 3-substituted 3-aminooxindoles
Authors of publication	Zhu, Jing-Yan; Yang, Wu-Lin; Liu, Yang-Zi; Shang, Shao-Jing; Deng, Wei-Ping
Journal of publication	Organic Chemistry Frontiers
Year of publication	2018
Journal volume	5
Journal issue	1
Pages of publication	70
a	12.1518 ± 0.0014 Å
b	12.3848 ± 0.0015 Å
c	19.412 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2921.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0383
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0799
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
236109 (current)	2019-11-24	cif/ Adding structures of 1553872 via cif-deposit CGI script.	1553872.cif