Crystallography Open Database

Information card for entry 2022738

2022737 << 2022738 >> 2022739

Preview

Coordinates	2022738.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pigment Orange 13, alpha phase
Chemical name	(4Z,4'Z)-4,4'-((3,3'-dichloro-[1,1'-biphenyl]-4,4'-diyl)bis(hydrazin-2-yl-1-ylidene))bis(5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one)
Formula	C32 H24 Cl2 N8 O2
Calculated formula	C32 H24 Cl2 N8 O2
Title of publication	Analysis of diffuse scattering in electron diffraction data for the crystal structure determination of Pigment Orange 13, C<sub>32</sub>H<sub>24</sub>Cl<sub>2</sub>N<sub>8</sub>O<sub>2</sub>.
Authors of publication	Gorelik, Tatiana E.; Bekő, Sàndor L; Teteruk, Jaroslav; Heyse, Winfried; Schmidt, Martin U.
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2023
Journal volume	79
Journal issue	Pt 2
Pages of publication	122 - 137
a	16.5847 ± 0.3 Å
b	12.3 ± 0.1 Å
c	16.5847 ± 0.3 Å
α	90°
β	58.0757 ± 0.9°
γ	90°
Cell volume	2871 ± 8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Diffraction radiation probe	electron
Diffraction radiation wavelength	0.0197 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283571 (current)	2023-05-06	cif/ Updating files of 2022738 Original log message: Adding full bibliography for 2022738.cif.	2022738.cif
282522	2023-04-07	cif/ hkl/ Adding structures of 2022738 via cif-deposit CGI script.	2022738.cif