Crystallography Open Database

Information card for entry 1507029

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Structure parameters

Formula	C16 H12 N2 O3
Calculated formula	C16 H12 N2 O3
SMILES	C1(=O)/C(=C/c2ccc(cc2)N(=O)=O)c2c(cccc2)N1C
Title of publication	One-pot homolytic aromatic substitutions/HWE olefinations under microwave conditions for the formation of a small oxindole library.
Authors of publication	Teichert, Antje; Jantos, Katja; Harms, Klaus; Studer, Armido
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	20
Pages of publication	3477 - 3480
a	7.588 ± 0.0008 Å
b	21.2436 ± 0.0017 Å
c	7.9723 ± 0.0009 Å
α	90°
β	92.095 ± 0.009°
γ	90°
Cell volume	1284.2 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.047
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1507029.cif
176729	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.	1507029.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507029.cif
51623	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507029 via cif-deposit CGI script.	1507029.cif