Information card for entry 7232717

Structure parameters

• Formula: C53 H62 Br4 Cl4 O10
• Calculated formula: C53 H62 Br4 Cl4 O10
• Title of publication: Constitutional isomers of brominated-functionalized copillar[5]arenes: synthesis, characterization, and crystal structures
• Authors of publication: Al-Azemi, Talal F.; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 24
• Pages of publication: 13814
• a: 11.639 ± 0.01 Å
• b: 40.03 ± 0.03 Å
• c: 11.802 ± 0.01 Å
• α: 90°
• β: 92.258 ± 0.012°
• γ: 90°
• Cell volume: 5494 ± 8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.3
• Residual factor for significantly intense reflections: 0.1601
• Weighted residual factors for significantly intense reflections: 0.3871
• Weighted residual factors for all reflections included in the refinement: 0.4443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No