Information card for entry 7207658

Structure parameters

• Formula: C92 H128 O15
• Calculated formula: C92 H128 O15
• Title of publication: Picturing the induced fit of calix[5]arenes upon n-alkylammonium cation binding
• Authors of publication: Gattuso, Giuseppe; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pilati, Tullio; Terraneo, Giancarlo
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2621
• a: 14.583 ± 0.002 Å
• b: 27.006 ± 0.004 Å
• c: 23.412 ± 0.004 Å
• α: 90°
• β: 107.795 ± 0.01°
• γ: 90°
• Cell volume: 8779 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No