Information card for entry 4505766

Structure parameters

• Chemical name: 5-(4-hydroxyphenyl)-15-phenyl-2,8,12,18-tetrahexyl -3,7,13,17-tetramethylporphyrin
• Formula: C60 H78 N4 O
• Calculated formula: C60 H78 N4 O
• Title of publication: Molecular Conformation and Intermolecular Interactions in the Crystal Structures of Free-Base 5,15-Diarylporphyrins
• Authors of publication: Bond, Andrew D.; Feeder, Neil; Redman, James E.; Teat, Simon J.; Sanders, Jeremy K. M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2002
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 27
• a: 10.143 ± 0.001 Å
• b: 14.541 ± 0.001 Å
• c: 9.357 ± 0.002 Å
• α: 92.4 ± 0.01°
• β: 104.21 ± 0.01°
• γ: 71.63 ± 0.01°
• Cell volume: 1268.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1001
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.2071
• Weighted residual factors for all reflections included in the refinement: 0.2252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.6919 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No