Information card for entry 4032961

Structure parameters

• Formula: C75 H110 O10
• Calculated formula: C75 H110 O10
• Title of publication: Constitutional Isomers of Pentahydroxy-Functionalized Pillar[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: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 20
• Pages of publication: 10945 - 10952
• a: 16.62 ± 0.003 Å
• b: 16.686 ± 0.003 Å
• c: 16.858 ± 0.003 Å
• α: 95.191 ± 0.007°
• β: 117.822 ± 0.008°
• γ: 114.325 ± 0.008°
• Cell volume: 3528.1 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.4213
• Residual factor for significantly intense reflections: 0.1323
• Weighted residual factors for significantly intense reflections: 0.2936
• Weighted residual factors for all reflections included in the refinement: 0.4465
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No