Information card for entry 7150188

Structure parameters

• Formula: C20 H22 Br2 O2
• Calculated formula: C20 H22 Br2 O2
• 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: 23.851 ± 0.0003 Å
• b: 12.333 ± 0.0003 Å
• c: 13.074 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3845.77 ± 0.16 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections included in the refinement: 0.0242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0311
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No