Information card for entry 8107580

Structure parameters

• Formula: C49 H34 Cl2 N4 O4
• Calculated formula: C49 H36 Cl2 N4 O4
• Title of publication: The crystal structure of dimethyl 4,4′-(10,20-diphenylporphyrin-5,15-diyl)dibenzoate dichloromethane solvate, C49H36N4O4Cl2
• Authors of publication: Xiao, Ze-en; Wang, Yiqun; Cui, Hao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 849 - 851
• a: 6.3858 ± 0.0002 Å
• b: 12.6484 ± 0.0004 Å
• c: 12.7115 ± 0.0005 Å
• α: 95.986 ± 0.003°
• β: 102.79 ± 0.003°
• γ: 95.563 ± 0.003°
• Cell volume: 988.12 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No