Information card for entry 2229223

Structure parameters

• Chemical name: 5,11,17,23,29-Penta-<i>tert</i>-butyl-31,32,33,34,35-pentapropoxycalix[5]arene dichloromethane hemisolvate
• Formula: C70.5 H101 Cl O5
• Calculated formula: C70.5 H101 Cl O5
• Title of publication: 5,11,17,23,29-Penta-<i>tert</i>-butyl-31,32,33,34,35-pentapropoxycalix[5]arene dichloromethane hemisolvate
• Authors of publication: Pojarová, Michaela; Dušek, Michal; Budka, Jan; Císařová, Ivana; Makrlík, Emanuel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o296 - o297
• a: 12.374 ± 0.0002 Å
• b: 23.913 ± 0.0002 Å
• c: 43.655 ± 0.0005 Å
• α: 90°
• β: 91.746 ± 0.0005°
• γ: 90°
• Cell volume: 12911.5 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections: 0.1509
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes