Information card for entry 4500681

Structure parameters

• Formula: C52 H70 N O9
• Calculated formula: C52 H70 N O9
• Title of publication: Chiral Moieties-Oriented Single-Stranded Helical Assembly of Calix[4]azacrown Derivatives
• Authors of publication: Guan, Yang-Fan; Li, Zheng-Yi; Ni, Meng-Fei; Lin, Chen; Jiang, Juli; Li, Yi-Zhi; Wang, Leyong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 2684
• a: 12.6602 ± 0.0009 Å
• b: 12.6602 ± 0.0009 Å
• c: 28.733 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3988.3 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No