Information card for entry 7104714

Structure parameters

• Formula: C51 H71 N7 O12
• Calculated formula: C51 H69 N7 O12
• Title of publication: Recognition and complexation of hydrated fluoride anion: F2(H2O)(6)(2-) templated formation of a dimeric capsule of a tripodal amide.
• Authors of publication: Arunachalam, M; Ghosh, Pradyut
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 36
• Pages of publication: 5389 - 5391
• a: 12.9277 ± 0.0019 Å
• b: 14.647 ± 0.002 Å
• c: 15.513 ± 0.002 Å
• α: 62.355 ± 0.002°
• β: 73.693 ± 0.002°
• γ: 77.867 ± 0.002°
• Cell volume: 2486.4 ± 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: 0.0754
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No