Information card for entry 7152281

Structure parameters

• Formula: C45 H49 B Cl F6 N5 O2
• Calculated formula: C45 H49 B Cl F6 N5 O2
• Title of publication: Solid-state supramolecular assemblies consisting of planar charged species.
• Authors of publication: Haketa, Yohei; Takayama, Mayumi; Maeda, Hiromitsu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 2603 - 2606
• a: 8.341 ± 0.003 Å
• b: 12.445 ± 0.006 Å
• c: 20.303 ± 0.008 Å
• α: 79.279 ± 0.015°
• β: 85.683 ± 0.013°
• γ: 80.571 ± 0.015°
• Cell volume: 2040.6 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No