Information card for entry 7105754

Structure parameters

• Formula: C52 H29 B Cl6 F8 N8 O
• Calculated formula: C52 H29 B Cl6 F8 N8 O
• Title of publication: Pyrene-Fused Subphthalocyanine
• Authors of publication: Soji Shimizu; Shota Nakano; Takahisa Hosoya; Nagao Kobayashi
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 316
• a: 22.946 ± 0.004 Å
• b: 24.128 ± 0.004 Å
• c: 19.003 ± 0.003 Å
• α: 90°
• β: 99.94 ± 0.002°
• γ: 90°
• Cell volume: 10363 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1729
• Residual factor for significantly intense reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.2815
• Weighted residual factors for all reflections included in the refinement: 0.3166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No