Information card for entry 7251997

Structure parameters

• 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: 7.4665 ± 0.0006 Å
• b: 13.806 ± 0.0012 Å
• c: 16.2268 ± 0.0013 Å
• α: 113.291 ± 0.008°
• β: 91.094 ± 0.007°
• γ: 105.492 ± 0.007°
• Cell volume: 1465.8 ± 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: 0.2175
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No