Information card for entry 2022738

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, C₃₂H₂₄Cl₂N₈O₂.
• 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 ų
• 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 Fobs: No