Information card for entry 4032958

Structure parameters

• Common name: Benzoxymethoxy Pillerene
• Formula: C81 H82 O10
• Calculated formula: C81 H82 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: 12.0438 ± 0.0011 Å
• b: 14.5042 ± 0.0014 Å
• c: 22.049 ± 0.003 Å
• α: 72.623 ± 0.005°
• β: 76.291 ± 0.005°
• γ: 77.888 ± 0.005°
• Cell volume: 3530.8 ± 0.7 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: 0.2028
• Residual factor for significantly intense reflections: 0.1038
• Weighted residual factors for significantly intense reflections: 0.2834
• Weighted residual factors for all reflections included in the refinement: 0.3483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No