Information card for entry 7150189

Structure parameters

• Formula: C144 H192 O12
• Calculated formula: C48 H64 O4
• Title of publication: Two structural types of 1,3-alternate tetrapropoxycalix[4]arene derivatives in the solid state.
• Authors of publication: Sýkora, Jan; Budka, Jan; Lhoták, Pavel; Stibor, Ivan; Císarová, Ivana
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 14
• Pages of publication: 2572 - 2578
• a: 13.9231 ± 0.0001 Å
• b: 35.1563 ± 0.0002 Å
• c: 25.7578 ± 0.0002 Å
• α: 90°
• β: 94.5875 ± 0.0003°
• γ: 90°
• Cell volume: 12567.7 ± 0.15 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0633
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No