Information card for entry 7122739

Structure parameters

• Formula: C115.5 H110 Cl3 N7 O8
• Calculated formula: C115.5 H107 Cl3 N7 O8
• Title of publication: Chiroptical and catalytic properties of doubly binaphthyl-strapped chiral porphyrins
• Authors of publication: Maeda, Chihiro; Ogawa, Kanae; Sadanaga, Kosuke; Takaishi, Kazuto; Ema, Tadashi
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 17.656 ± 0.007 Å
• b: 24.127 ± 0.009 Å
• c: 24.239 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10325 ± 7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.165
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2552
• Weighted residual factors for all reflections included in the refinement: 0.313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No