Information card for entry 7150185

Structure parameters

• Formula: C40 H44 Br2 O4
• Calculated formula: C40 H44 Br2 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: 10.055 ± 0.002 Å
• b: 13.297 ± 0.002 Å
• c: 15.802 ± 0.003 Å
• α: 75.124 ± 0.001°
• β: 74.149 ± 0.002°
• γ: 69.449 ± 0.001°
• Cell volume: 1872.5 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0267
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No