Information card for entry 2214684

Structure parameters

• Chemical name: 25,27-Bis(acryloyloxy)-5,11,17,23-tetra-tert-butyl-26,28-dihydroxycalix[4]arene
• Formula: C50 H60 O6
• Calculated formula: C50 H60 O6
• SMILES: C=CC(=O)Oc1c2cc(cc1Cc1cc(cc(c1O)Cc1c(c(Cc3c(c(C2)cc(c3)C(C)(C)C)O)cc(c1)C(C)(C)C)OC(=O)C=C)C(C)(C)C)C(C)(C)C
• Title of publication: 25,27-Bis(acryloyloxy)-5,11,17,23-tetra-<i>tert</i>-butyl-26,28-dihydroxycalix[4]arene
• 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: o3396 - o3396
• a: 15.8896 ± 0.0011 Å
• b: 26.482 ± 0.002 Å
• c: 10.3522 ± 0.0007 Å
• α: 90°
• β: 95.047 ± 0.006°
• γ: 90°
• Cell volume: 4339.2 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.1399
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes