Information card for entry 7225487

Structure parameters

• Formula: C57.5 H64 O15
• Calculated formula: C57.5 H64 O15
• Title of publication: Solid-state assembly of a resorcin[6]arene in twin molecular capsules
• Authors of publication: Brancatelli, Giovanna; Geremia, Silvano; Gaeta, Carmine; Della Sala, Paolo; Talotta, Carmen; De Rosa, Margherita; Neri, Placido
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 26
• Pages of publication: 5045
• a: 11.91 ± 0.01 Å
• b: 14.88 ± 0.01 Å
• c: 16.83 ± 0.01 Å
• α: 70.96 ± 0.02°
• β: 87.15 ± 0.01°
• γ: 71.42 ± 0.02°
• Cell volume: 2668 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.268
• Weighted residual factors for all reflections included in the refinement: 0.2738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.7 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No