Information card for entry 4505763

Structure parameters

• Chemical name: 5,15-diphenyl-2,8,12,18-tetraethyl-3,7,13,17-tetramethylporphyrin, alpha form
• Formula: C44 H46 N4
• Calculated formula: C44 H46 N4
• 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: 8.6155 ± 0.0005 Å
• b: 15.7605 ± 0.001 Å
• c: 13.1152 ± 0.0009 Å
• α: 90°
• β: 104.238 ± 0.002°
• γ: 90°
• Cell volume: 1726.14 ± 0.19 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.6904 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No