Crystallography Open Database

Information card for entry 1506880

Preview

Coordinates	1506880.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 N2 O6
Calculated formula	C16 H20 N2 O6
SMILES	O=C(Nc1c(cc(NC(=O)C)c(c1)C(=O)OCC)C(=O)OCC)C
Title of publication	Hydrogen bond-induced rigid oligoanthranilamide ribbons that are planar and straight.
Authors of publication	Wu, Zong-Quan; Jiang, Xi-Kui; Zhu, Shi-Zheng; Li, Zhan-Ting
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	2
Pages of publication	229 - 232
a	4.972 ± 0.0013 Å
b	8.259 ± 0.002 Å
c	10.597 ± 0.003 Å
α	91.59 ± 0.005°
β	96.686 ± 0.005°
γ	105.419 ± 0.004°
Cell volume	415.85 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1196
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.172
Weighted residual factors for all reflections included in the refinement	0.1937
Goodness-of-fit parameter for all reflections included in the refinement	0.908
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.	1506880.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506880.cif
51517	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506880 via cif-deposit CGI script.	1506880.cif