Information card for entry 4128393

Structure parameters

• Formula: C98 H64 F12 N4 O
• Calculated formula: C98 H64 F12 N4 O
• Title of publication: Dioxygen/Hydrogen Peroxide Interconversion Using Redox Couples of Saddle-Distorted Porphyrins and Isophlorins.
• Authors of publication: Suzuki, Wataru; Kotani, Hiroaki; Ishizuka, Tomoya; Kojima, Takahiko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 14
• Pages of publication: 5987 - 5994
• a: 15.1005 ± 0.0014 Å
• b: 16.7532 ± 0.0015 Å
• c: 18.7562 ± 0.0017 Å
• α: 90.18 ± 0.001°
• β: 109.151 ± 0.001°
• γ: 97.462 ± 0.001°
• Cell volume: 4439.1 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0891
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No