Information card for entry 7051559

Structure parameters

• Common name: 1,2-alternate-tetra-t-butyl-25,26,27,28- tetrahydoxycalix(4)areneacid
• Chemical name: 1,2-alternate-tetra-t-butyl-25,26,27,28-tetrahydoxycalix(4)areneacid
• Formula: C56 H76 O14
• Calculated formula: C56 H76 O14
• Title of publication: Fibriform one-dimensional hydrogen-bonded network composed of 1,2-alt calix[4]arene tetra acetic acid
• Authors of publication: Wang, Wei; Gong, Shuling; Chen, Yuanyin; Ma, Jianpin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 1390
• a: 14.5678 ± 0.0019 Å
• b: 12.3123 ± 0.0016 Å
• c: 16.266 ± 0.002 Å
• α: 90°
• β: 110.806 ± 0.002°
• γ: 90°
• Cell volume: 2727.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1971
• Weighted residual factors for all reflections included in the refinement: 0.2152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No