Information card for entry 4319097

Structure parameters

• Common name: meso-tetraphenyloctamethoxycarbonyltetrabenzoporphyrin
• Formula: C76 H54 N4 O16
• Calculated formula: C76 H54 N4 O16
• Title of publication: Influence of Nonplanarity and Extended Conjugation on Porphyrin Basicity
• Authors of publication: Olga S. Finikova; Andrei V. Cheprakov; Patrick J. Carroll; Sergio Dalosto; Sergei A. Vinogradov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6944 - 6946
• a: 20.9448 ± 0.0003 Å
• b: 20.9448 ± 0.0003 Å
• c: 9.0485 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3969.44 ± 0.09 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections: 0.2195
• Weighted residual factors for significantly intense reflections: 0.2107
• Goodness-of-fit parameter for all reflections: 1.167
• Goodness-of-fit parameter for significantly intense reflections: 1.219
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No