Crystallography Open Database

Information card for entry 7207686

7207685 << 7207686 >> 7207687

Preview

Coordinates	7207686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H34 N4 O2
Calculated formula	C52 H34 N4 O2
SMILES	O1C(=NC(=N\C(=O)c2ccccc2)/c2ccc(cc2)c2c3c(c4ccc(C5=NC1(c1ccccc1)C(=N5)c1ccccc1)cc4)cccc3ccc2)c1ccccc1
Title of publication	A peroxide-bridged imidazole dimer formed from a photochromic naphthalene-bridged imidazole dimer.
Authors of publication	Hatano, Sayaka; Abe, Jiro
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2012
Journal volume	14
Journal issue	16
Pages of publication	5855 - 5860
a	10.462 ± 0.009 Å
b	10.806 ± 0.009 Å
c	17.637 ± 0.015 Å
α	86.158 ± 0.011°
β	74.173 ± 0.013°
γ	73.868 ± 0.012°
Cell volume	1843 ± 3 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.1479
Residual factor for significantly intense reflections	0.0917
Weighted residual factors for significantly intense reflections	0.2496
Weighted residual factors for all reflections included in the refinement	0.274
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
180407 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/76.	7207686.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207686.cif
52067	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7207685, 7207686 via cif-deposit CGI script.	7207686.cif