Information card for entry 4504143

Structure parameters

• Formula: C34 H41 N O4
• Calculated formula: C34 H39 N O4
• SMILES: O[C@@H](c1ccccc1)[C@H]([NH3+])c1ccccc1.O[C@@H](c1ccc(cc1)CCC)C.[O-]C(=O)c1ccc(CC)cc1
• Title of publication: Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures
• Authors of publication: Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 935
• a: 38.87 ± 0.006 Å
• b: 5.989 ± 0.0007 Å
• c: 13.752 ± 0.003 Å
• α: 90°
• β: 109.505 ± 0.006°
• γ: 90°
• Cell volume: 3017.6 ± 0.9 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No