Crystallography Open Database

Information card for entry 1502746

Preview

Coordinates	1502746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 N2 O4
Calculated formula	C18 H14 N2 O4
Title of publication	Fluorescence spectroscopic properties of nitro-substituted diphenylpolyenes: effects of intramolecular planarization and intermolecular interactions in crystals.
Authors of publication	Sonoda, Yoriko; Tsuzuki, Seiji; Goto, Midori; Tohnai, Norimitsu; Yoshida, Masaru
Journal of publication	The journal of physical chemistry. A
Year of publication	2010
Journal volume	114
Journal issue	1
Pages of publication	172 - 182
a	6.3063 ± 0.001 Å
b	10.8492 ± 0.0017 Å
c	12.374 ± 0.002 Å
α	107.847 ± 0.003°
β	98.976 ± 0.003°
γ	103.827 ± 0.003°
Cell volume	758.1 ± 0.2 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 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	0.0661
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.1394
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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.	1502746.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502746.cif
36693	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502746 via cif-deposit CGI script.	1502746.cif