Crystallography Open Database

Information card for entry 1519468

1519467 << 1519468 >> 1519469

Preview

Coordinates	1519468.cif

Structure parameters

Formula	C32 H25 N3 O3
Calculated formula	C32 H25 N3 O3
SMILES	N(c1ccccc1)C(=O)c1oc(c(c1c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1.CC#N
Title of publication	3,4-Diphenyl-furan-2,5-dicarboxylic acid bis-phenylamide acetonitrile solvate
Authors of publication	Warriner, C. N.; Camiolo, S.; Gale, Phil A.; Hursthouse, Michael B.; Light, Mark E.
Journal of publication	Crystal Structure Report Archive
Year of publication	2002
Pages of publication	28
a	8.8334 ± 0.0002 Å
b	15.6053 ± 0.0004 Å
c	19.0971 ± 0.0007 Å
α	90°
β	102.447 ± 0.001°
γ	90°
Cell volume	2570.62 ± 0.13 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1127
Goodness-of-fit parameter for all reflections included in the refinement	0.965
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.	1519468.cif
136024	2015-05-11	cif/ Adding structures of 1519468 via cif-deposit CGI script.	1519468.cif