Information card for entry 4505762

Structure parameters

• Chemical name: 5,15-diphenylporphyrin, dichloromethane solvate (1/1)
• Formula: C33 H24 Cl2 N4
• Calculated formula: C33 H24 Cl2 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: 18.1798 ± 0.0006 Å
• b: 13.6747 ± 0.0005 Å
• c: 10.6943 ± 0.0004 Å
• α: 90°
• β: 99.238 ± 0.001°
• γ: 90°
• Cell volume: 2624.16 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.6893 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No