Information card for entry 4022556

Structure parameters

• Formula: C132 H127 Cl N8 Ni2 O7
• Calculated formula: C131.5 H94 Cl N8 Ni2 O6.5
• Title of publication: Preparation of Six Isomeric Bis-acylporphyrins with Chromophores Reaching the Near-Infrared via Intramolecular Friedel-Crafts Reaction
• Authors of publication: Sébastien Richeter; Christophe Jeandon; Nathalie Kyritsakas; Romain Ruppert; Henry J. Callot
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 9200 - 9208
• a: 16.3155 ± 0.0003 Å
• b: 17.4682 ± 0.0003 Å
• c: 21.2009 ± 0.0005 Å
• α: 91.986 ± 0.005°
• β: 95.875 ± 0.005°
• γ: 98.608 ± 0.005°
• Cell volume: 5935.2 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.192
• Residual factor for significantly intense reflections: 0.101
• Weighted residual factors for all reflections: 0.568
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections: 6.95
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No