Information card for entry 2244107

Structure parameters

• Chemical name: 4,6-Diacetylresorcinol–1-aminopyrene (2/1)
• Formula: C36 H31 N O8
• Calculated formula: C36 H31 N O8
• Title of publication: The co-crystal 4,6-diacetylresorcinol–1-aminopyrene (2/1)
• Authors of publication: Magrashi, Maryam Ali; Aazam, Elham Shafik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 6
• Pages of publication: 679 - 681
• a: 18.7222 ± 0.0014 Å
• b: 9.787 ± 0.0006 Å
• c: 16.9398 ± 0.0015 Å
• α: 90°
• β: 113.758 ± 0.004°
• γ: 90°
• Cell volume: 2840.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes