Crystallography Open Database

Information card for entry 1516611

Preview

Coordinates	1516611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 N2 O3
Calculated formula	C17 H14 N2 O3
SMILES	OC12N(c3ccccc3C(=O)NCC2)C(=O)c2c1cccc2
Title of publication	Photocyclization of N,N-phthaloylanthranilic amides coupled to ω-amino acids with increasing chain lengths
Authors of publication	Griesbeck, Axel G.; Kramer, Wolfgang; Heinrich, Thomas; Lex, Johann
Journal of publication	Photochemical & Photobiological Sciences
Year of publication	2002
Journal volume	1
Journal issue	4
Pages of publication	237
a	11.398 ± 0.001 Å
b	15.357 ± 0.001 Å
c	16.312 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2855.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0998
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	1516611.cif
116898	2014-06-14	cif/ Adding structures of 1516611 via cif-deposit CGI script.	1516611.cif