Information card for entry 7103300

Structure parameters

• Common name: bistetraoxacalix(2)arene(2)trizine
• Formula: C76 H60 N16 O16
• Calculated formula: C75.936 H59.872 N16 O16
• Title of publication: Highly efficient construction of large molecular cavity using 1,3-alternate tetraoxacalix[2]arene[2]triazine as a platform.
• Authors of publication: Hou, Bao-Yong; Zheng, Qi-Yu; Wang, De-Xian; Huang, Zhi-Tang; Wang, Mei-Xiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 33
• Pages of publication: 3864 - 3866
• a: 14.117 ± 0.005 Å
• b: 15.736 ± 0.005 Å
• c: 20.905 ± 0.005 Å
• α: 101.255 ± 0.005°
• β: 98.513 ± 0.005°
• γ: 96.039 ± 0.005°
• Cell volume: 4461 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1462
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2229
• Weighted residual factors for all reflections included in the refinement: 0.2495
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No