Information card for entry 7232716

Structure parameters

• Formula: C55 H62 Br6 N2 O10
• Calculated formula: C55 H62 Br6 N2 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: 11.7192 ± 0.0007 Å
• b: 11.9722 ± 0.0006 Å
• c: 22.1105 ± 0.0016 Å
• α: 94.87 ± 0.007°
• β: 102.695 ± 0.007°
• γ: 97.465 ± 0.007°
• Cell volume: 2980 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1599
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.2517
• Weighted residual factors for all reflections included in the refinement: 0.3121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No