Information card for entry 4032966

Structure parameters

• Common name: OctoxyBenzoxyPillerene_3
• Formula: C119 H158 Cl9 O10
• Calculated formula: C119 H158 Cl9 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: 14.89 ± 0.008 Å
• b: 18.123 ± 0.008 Å
• c: 21.671 ± 0.01 Å
• α: 81.371 ± 0.006°
• β: 82.134 ± 0.009°
• γ: 87.707 ± 0.013°
• Cell volume: 5726 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1761
• Residual factor for significantly intense reflections: 0.111
• Weighted residual factors for significantly intense reflections: 0.3038
• Weighted residual factors for all reflections included in the refinement: 0.3479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No