Information card for entry 4510669

Structure parameters

• Formula: C48 H74 N13 O26.5
• Calculated formula: C48 H74 N13 O26.5
• Title of publication: Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions
• Authors of publication: Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 3208
• a: 12.3872 ± 0.0015 Å
• b: 15.5922 ± 0.0019 Å
• c: 16.3762 ± 0.0019 Å
• α: 97.037 ± 0.002°
• β: 93.522 ± 0.002°
• γ: 109.287 ± 0.002°
• Cell volume: 2945.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.1836
• Weighted residual factors for all reflections included in the refinement: 0.1925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No