Information card for entry 7104925

Structure parameters

• Formula: C92.62 H37.24 Cl5.24 F30 N6
• Calculated formula: C92.619 H37.238 Cl5.238 F30 N6
• Title of publication: Multiple conformational changes of beta-tetraphenyl meso-hexakis(pentafluorophenyl) substituted [26] and [28]hexaphyrins(1.1.1.1.1.1).
• Authors of publication: Koide, Taro; Youfu, Katsuyuki; Saito, Shohei; Osuka, Atsuhiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 6047 - 6049
• a: 13.6922 ± 0.0011 Å
• b: 47.412 ± 0.004 Å
• c: 12.5608 ± 0.001 Å
• α: 90°
• β: 90.791 ± 0.002°
• γ: 90°
• Cell volume: 8153.4 ± 1.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1303
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.1968
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No