Information card for entry 7152280

Structure parameters

• Formula: C51 H50 B2 Cl3 F4 N7 O4
• Calculated formula: C51 H50 B2 Cl3 F4 N7 O4
• 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: 8.553 ± 0.002 Å
• b: 13.788 ± 0.004 Å
• c: 20.858 ± 0.008 Å
• α: 88.838 ± 0.014°
• β: 86.545 ± 0.014°
• γ: 73.382 ± 0.012°
• Cell volume: 2352.7 ± 1.3 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 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: 0.0926
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No