Information card for entry 1570593

Structure parameters

• Common name: <i>meso</i>-α,α-5,15-Bis(<i>o</i>-nicotinamidophenyl)-10,20-diphenylporphyrin <i>n</i>-hexane monosolvate
• Chemical name: <i>meso</i>-α,α-5,15-Bis(2-nicotinamidophenyl)-10,20-diphenylporphyrin <i>n</i>-hexane monosolvate
• Formula: C62 H52 N8 O2
• Calculated formula: C62 H52 N8 O2
• Title of publication: meso-α,α-5,15-Bis(o-nicotinamidophenyl)-10,20-diphenylporphyrin n-hexane monosolvate
• Authors of publication: Sun, Xiaotao; Li, Jianfeng
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 12
• a: 13.4628 ± 0.0002 Å
• b: 17.2828 ± 0.0003 Å
• c: 21.7586 ± 0.0004 Å
• α: 84.624 ± 0.002°
• β: 84.857 ± 0.003°
• γ: 85.114 ± 0.004°
• Cell volume: 5005.05 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.2231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No