Information card for entry 7119860

Structure parameters

• Formula: C57.46 H55 B Cl3.62 F2 N5 O2
• Calculated formula: C57.4575 H55 B Cl3.617 F2 N5 O2
• Title of publication: Dimension-controlled assemblies of anion-responsive π-electronic systems bearing aryl substituents with fan-shaped geometries.
• Authors of publication: Lakshmi, Vellanki; Haketa, Yohei; Yamakado, Ryohei; Yasuda, Nobuhiro; Maeda, Hiromitsu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 27
• Pages of publication: 3834 - 3837
• a: 8.5862 ± 0.0012 Å
• b: 19.717 ± 0.002 Å
• c: 31.483 ± 0.003 Å
• α: 72.702 ± 0.009°
• β: 85.311 ± 0.012°
• γ: 88.492 ± 0.012°
• Cell volume: 5071.8 ± 1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.1508
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.2549
• Weighted residual factors for all reflections included in the refinement: 0.2912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No