Crystallography Open Database

Information card for entry 4030126

Preview

Coordinates	4030126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 N2 O2
Calculated formula	C18 H18 N2 O2
SMILES	c1ccccc1C1(CCNC1=O)c1ccccc1NC(=O)C
Title of publication	Synthesis of lactams by isomerization of oxindoles substituted at C-3 by an ω-amino chain.
Authors of publication	Sarraf, Daad; Richy, Nicolas; Vidal, Joëlle
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	22
Pages of publication	10945 - 10955
a	6.9323 ± 0.0002 Å
b	15.4032 ± 0.0005 Å
c	14.774 ± 0.0005 Å
α	90°
β	93.929 ± 0.001°
γ	90°
Cell volume	1573.85 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
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
178480 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/01.	4030126.cif
131366	2015-02-07	cif/ Updating files of 4030126 Original log message: Adding full bibliography for 4030126.cif.	4030126.cif
126259	2014-11-05	cif/ Adding structures of 4030126 via cif-deposit CGI script.	4030126.cif