Information card for entry 2214682

Structure parameters

• Chemical name: 25,27-Bis(acryloyloxy)-26,28-dihydroxycalix[4]arene toluene hemisolvate
• Formula: C37.5 H32 O6
• Calculated formula: C38 H33 O6
• Title of publication: 25,27-Bis(acryloyloxy)-26,28-dihydroxycalix[4]arene toluene hemisolvate
• Authors of publication: Sevil Özkinali; Ibrahim Uçar; Hasan Kocaokutgen; Ahmet Bulut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3378 - o3378
• a: 10.5574 ± 0.0009 Å
• b: 12.0375 ± 0.0012 Å
• c: 13.557 ± 0.0012 Å
• α: 111.105 ± 0.007°
• β: 101.46 ± 0.008°
• γ: 101.413 ± 0.007°
• Cell volume: 1505.3 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.1497
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes