Information card for entry 7216078

Structure parameters

• Formula: C38 H51.12 O9.56
• Calculated formula: C38 H44 O9.56083
• Title of publication: Interconnected water channels and isolated hydrophobic cavities in a calixarene-based, nanoporous supramolecular architecture
• Authors of publication: Tedesco, Consiglia; Immediata, Ivano; Gregoli, Luisa; Vitagliano, Luigi; Immirzi, Attilio; Neri, Placido
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 73
• Pages of publication: 449
• a: 36.412 ± 0.004 Å
• b: 36.412 ± 0.004 Å
• c: 36.412 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 48276 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 222
• Hermann-Mauguin space group symbol: P n -3 n :2
• Hall space group symbol: -P 4a 2bc 3
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.104
• Weighted residual factors for significantly intense reflections: 0.3804
• Weighted residual factors for all reflections included in the refinement: 0.3841
• Goodness-of-fit parameter for all reflections included in the refinement: 2.105
• Diffraction radiation wavelength: 0.93931 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No