Crystallography Open Database

Information card for entry 4037200

Preview

Coordinates	4037200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 Br N O3
Calculated formula	C24 H26 Br N O3
SMILES	Brc1ccc(cc1)[C@@H]([C@]1(c2ccccc2N(C1=O)C)C)C(=C)C(=O)OC(C)(C)C
Title of publication	Pd(II)/β-ICD-Cocatalyzed Asymmetric Route to Oxindole Scaffold via Cascade Reaction of Diazoacetamides and MBH-Carbonates.
Authors of publication	Yang, Yang; Ma, Chaoqun; Thumar, Nilesh J.; Hu, Wenhao
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	18
Pages of publication	8537 - 8543
a	8.7384 ± 0.0005 Å
b	12.1279 ± 0.0007 Å
c	20.746 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2198.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0525
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0678
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
235790 (current)	2019-11-24	cif/ Adding structures of 4037200 via cif-deposit CGI script.	4037200.cif