Crystallography Open Database

Information card for entry 1542534

Preview

Coordinates	1542534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 N2 O3
Calculated formula	C19 H18 N2 O3
SMILES	N1(C(=O)C(OOC(C)(C)C)(c2c1cccc2)C#N)c1ccccc1
Title of publication	3-Alkylperoxy-3-cyano-oxindoles from 2-Cyano-2-diazo-N-phenyl-acetamides via Cyclizing Carbene Insertion and Subsequent Radical Oxidation.
Authors of publication	Kischkewitz, Marvin; Daniliuc, Constantin-Gabriel; Studer, Armido
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	5
Pages of publication	1206
a	18.7959 ± 0.0005 Å
b	22.7469 ± 0.0005 Å
c	8.0182 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3428.17 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177450 (current)	2016-03-04	cif/ Updating files of 1542534 Original log message: Adding full bibliography for 1542534.cif.	1542534.cif
176839	2016-02-24	cif/ Adding structures of 1542534 via cif-deposit CGI script.	1542534.cif