Information card for entry 4027913

Structure parameters

• Formula: C78 H66 Cl6 O6
• Calculated formula: C78 H66 Cl6 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: 8.884 ± 0.002 Å
• b: 17.286 ± 0.005 Å
• c: 23.428 ± 0.006 Å
• α: 109.558 ± 0.003°
• β: 90.173 ± 0.005°
• γ: 100.381 ± 0.006°
• Cell volume: 3326.9 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1367
• Residual factor for significantly intense reflections: 0.1084
• Weighted residual factors for significantly intense reflections: 0.2376
• Weighted residual factors for all reflections included in the refinement: 0.2545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No