Crystallography Open Database

Information card for entry 1506246

Preview

Coordinates	1506246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H15 N3 O5
Calculated formula	C22 H15 N3 O5
SMILES	O=C1N(c2c(/C1=C(\c1ccccc1)c1c(cccc1)N(=O)=O)cc(N(=O)=O)cc2)C
Title of publication	Synthesis of 3-(diarylmethylenyl)oxindole by a palladium-catalyzed domino carbopalladation/C-H activation/C-C bond-forming process.
Authors of publication	Pinto, Artur; Neuville, Luc; Retailleau, Pascal; Zhu, Jieping
Journal of publication	Organic letters
Year of publication	2006
Journal volume	8
Journal issue	21
Pages of publication	4927 - 4930
a	13.7213 ± 0.0009 Å
b	7.7011 ± 0.0006 Å
c	19.5546 ± 0.0013 Å
α	90°
β	110.252 ± 0.004°
γ	90°
Cell volume	1938.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0797
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.13
Weighted residual factors for all reflections included in the refinement	0.1509
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506246.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506246.cif
48119	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 1506246 via cif-deposit CGI script.	1506246.cif