Information card for entry 4021389

Structure parameters

• Formula: C50 H68 O6
• Calculated formula: C50 H68 O6
• Title of publication: Methyl Ether Derivatives of p-tert-Butyl[3.1.3.1]homooxacalixarene. Formation, Structure, and Complexes with Quaternary Ammonium Ions
• Authors of publication: Bernardo Masci; Stefano Levi Mortera; Daniela Persiani; Pierre Thuéry
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 504 - 511
• a: 30.6685 ± 0.0018 Å
• b: 14.3273 ± 0.0005 Å
• c: 23.3049 ± 0.0013 Å
• α: 90°
• β: 117.988 ± 0.003°
• γ: 90°
• Cell volume: 9042.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No