Information card for entry 7113250

Structure parameters

• Formula: C66 H72 N20 O2
• Calculated formula: C66 H72 N20 O2
• 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: 17.92 ± 0.004 Å
• b: 8.3524 ± 0.0017 Å
• c: 27.638 ± 0.009 Å
• α: 90°
• β: 124.47 ± 0.02°
• γ: 90°
• Cell volume: 3410.4 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1594
• Residual factor for significantly intense reflections: 0.1221
• Weighted residual factors for significantly intense reflections: 0.3262
• Weighted residual factors for all reflections included in the refinement: 0.3614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.295
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102135
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No