Crystallography Open Database

Information card for entry 1507030

Preview

Coordinates	1507030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 N O2
Calculated formula	C17 H17 N O2
SMILES	C1(=O)C(c2c(cccc2OC)N1C)Cc1ccccc1
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	8.3974 ± 0.0015 Å
b	9.0952 ± 0.0013 Å
c	10.0046 ± 0.0015 Å
α	95.733 ± 0.017°
β	111.551 ± 0.018°
γ	97.026 ± 0.019°
Cell volume	696.6 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.076
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.093
Goodness-of-fit parameter for all reflections included in the refinement	0.849
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
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.	1507030.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507030.cif
51624	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507030 via cif-deposit CGI script.	1507030.cif