Information card for entry 7105755

Structure parameters

• Formula: C80 H27 B F8 N8 O
• Calculated formula: C80 H27 B 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: 16.854 ± 0.0018 Å
• b: 14.8124 ± 0.0016 Å
• c: 24.597 ± 0.003 Å
• α: 90°
• β: 99.27 ± 0.001°
• γ: 90°
• Cell volume: 6060.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.239
• Weighted residual factors for all reflections included in the refinement: 0.2548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No