Information card for entry 1556395

Structure parameters

• Formula: C74 H72 O12
• Calculated formula: C74 H72 O12
• Title of publication: Triptycene-derived calix[6]arene analogues: synthesis, structure and complexation with paraquat derivatives
• Authors of publication: Xia, Yu-Xiang; Xie, Tao; Han, Ying; Chen, Chuan-Feng
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 2
• Pages of publication: 140
• a: 17.548 ± 0.004 Å
• b: 24.274 ± 0.005 Å
• c: 14.468 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6163 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1395
• Residual factor for significantly intense reflections: 0.1251
• Weighted residual factors for significantly intense reflections: 0.3265
• Weighted residual factors for all reflections included in the refinement: 0.3503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.336
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No