Crystallography Open Database

Information card for entry 4035314

Preview

Coordinates	4035314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H23 Cl N2 O7
Calculated formula	C24 H23 Cl N2 O7
SMILES	c1(cc2c(cc1)O[C@](C2=O)(C(=O)OC)[C@]1(C(=O)N(c2ccccc12)C)NC(=O)OC(C)(C)C)Cl
Title of publication	Stereodivergent Synthesis of 3-Aminooxindole Derivatives Containing Vicinal Tetrasubstituted Stereocenters via the Mannich Reaction.
Authors of publication	Sivamuthuraman, Koilpitchai; Kesavan, Venkitasamy
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	16
Pages of publication	8936 - 8952
a	9.6537 ± 0.0004 Å
b	10.4079 ± 0.0004 Å
c	23.45 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2356.13 ± 0.16 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	0.0375
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
226778 (current)	2019-11-11	cif/ Adding structures of 4035314 via cif-deposit CGI script.	4035314.cif