Information card for entry 4027912

Structure parameters

• Formula: C72 H72 O6
• Calculated formula: C72 H72 O6
• Title of publication: Triptycene-Derived Homooxacalixarene Analogues: Synthesis, Structures, and Complexation with Fullerenes C60 and C70
• Authors of publication: Tao Xie; Shu-Zhen Hu; Chuan-Feng Chen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 981 - 987
• a: 12.299 ± 0.003 Å
• b: 16.054 ± 0.003 Å
• c: 17.763 ± 0.004 Å
• α: 81.15 ± 0.03°
• β: 88.58 ± 0.03°
• γ: 74.64 ± 0.03°
• Cell volume: 3341.3 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1092
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2302
• Weighted residual factors for all reflections included in the refinement: 0.2483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No