Information card for entry 4505714

Structure parameters

• Formula: C52 H72 N2 O4
• Calculated formula: C52 H72 N2 O4
• SMILES: c1(ccccc1C(=O)Nc1ccc(cc1)CCc1ccc(NC(=O)c2c(cccc2)OCCCCCCCCCCCC)cc1)OCCCCCCCCCCCC
• Title of publication: Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides
• Authors of publication: Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2003
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 555
• a: 6.1229 ± 0.0005 Å
• b: 13.001 ± 0.001 Å
• c: 29.596 ± 0.002 Å
• α: 90°
• β: 92.197 ± 0.001°
• γ: 90°
• Cell volume: 2354.2 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No