Information card for entry 8107590

Structure parameters

• Formula: C50 H32 Cl6 F4 N4 O4
• Calculated formula: C50 H32 Cl6 F4 N4 O4
• Title of publication: The crystal structure of dimethyl 4,4′-[10,20-bis(2,6-difluorophenyl)porphyrin-5,15-diyl]dibenzoate chloroform solvate, C50H32Cl6F4N4O4
• Authors of publication: Yang, Bingcui; Wang, Yuzhou; Cui, Hao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 881 - 883
• a: 6.6447 ± 0.0006 Å
• b: 12.5839 ± 0.0011 Å
• c: 14.3335 ± 0.0011 Å
• α: 85.845 ± 0.007°
• β: 85.589 ± 0.007°
• γ: 85.679 ± 0.007°
• Cell volume: 1188.89 ± 0.18 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 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: 0.0751
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No