Information card for entry 7113249

Structure parameters

• Formula: C30 H30 N10
• Calculated formula: C30 H30 N10
• SMILES: c12cccc(n1)N(c1cccc(n1)N(c1cccc(n1)N(c1cccc(n1)N(c1cccc(n1)N2C)C)C)C)C
• Title of publication: Synthesis and structure of nitrogen bridged calix[5]- and -[10]-pyridines and their complexation with fullerenes
• Authors of publication: Liu, Shi-Qiang; Wang, De-Xian; Zheng, Qi-Yu; Wang, Mei-Xiang
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 37
• Pages of publication: 3856 - 3858
• a: 17.1305 ± 0.0011 Å
• b: 12.4187 ± 0.0005 Å
• c: 14.0272 ± 0.0002 Å
• α: 90°
• β: 113.46 ± 0.03°
• γ: 90°
• Cell volume: 2737.5 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.1131
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.1877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102134
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No