Information card for entry 4024636

Structure parameters

• Formula: C86 H58 N8 O3
• Calculated formula: C86 H58 N8 O3
• Title of publication: Oxazolochlorins. 2. Intramolecular Cannizzaro Reaction of meso-Tetraphenylsecochlorin Bisaldehyde
• Authors of publication: Joshua Akhigbe; Claudia Ryppa; Matthias Zeller; Christian Brückner
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 4927 - 4933
• a: 12.2998 ± 0.0007 Å
• b: 13.2498 ± 0.0007 Å
• c: 22.1649 ± 0.0012 Å
• α: 80.07 ± 0.004°
• β: 87.587 ± 0.004°
• γ: 89.341 ± 0.004°
• Cell volume: 3554.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.19
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.2289
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No