Information card for entry 7251994

Structure parameters

• Chemical name: Solid solution of Pigment Red 5 (71 %) and a noncommercial isomer of it (29 %)
• Formula: C30 H31 Cl N4 O7 S
• Calculated formula: C30 H31 Cl N4 O7 S
• Title of publication: Electron diffraction and crystal engineering of Pigment Red 5, C30H31ClN4O7S
• Authors of publication: Reibeling, Sylvia; Gorelik, Tatiana E.; Haussühl, Eiken; Liebisch, Nick; Piepenbring, Martin U.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 7.4867 ± 0.0005 Å
• b: 13.8141 ± 0.0011 Å
• c: 16.0732 ± 0.0015 Å
• α: 113.141 ± 0.008°
• β: 91.234 ± 0.006°
• γ: 105.433 ± 0.006°
• Cell volume: 1458.5 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1476
• Residual factor for significantly intense reflections: 0.1158
• Weighted residual factors for significantly intense reflections: 0.3196
• Weighted residual factors for all reflections included in the refinement: 0.3402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No