Information card for entry 7106634

Structure parameters

• Formula: C57 H62 Cl2 N16 O16
• Calculated formula: C57 H62 Cl2 N16 O16
• Title of publication: Ion pair receptors based on anion-p interaction
• Authors of publication: Yin Chen; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 8112
• a: 15.195 ± 0.006 Å
• b: 25.537 ± 0.009 Å
• c: 17.451 ± 0.007 Å
• α: 90°
• β: 114.634 ± 0.004°
• γ: 90°
• Cell volume: 6155 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1553
• Residual factor for significantly intense reflections: 0.1342
• Weighted residual factors for significantly intense reflections: 0.2314
• Weighted residual factors for all reflections included in the refinement: 0.2413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.361
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No