Information card for entry 7108608

Structure parameters

• Formula: C30 H18 N6 O6
• Calculated formula: C30 H18 N6 O6
• Title of publication: Anion-directed assembly of a rectangular supramolecular cage in the solid state with electron-deficient phenoxylated oxacalix[2]arene[2]triazine
• Authors of publication: De-Xian Wang; Shi-Xin Fa; Yang Liu; Bao-Yong Hou; Mei-Xiang Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11458
• a: 35.328 ± 0.005 Å
• b: 35.328 ± 0.005 Å
• c: 12.311 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 13306 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No