Information card for entry 4505713

Structure parameters

• Formula: C51 H70 N2 O4
• Calculated formula: C51 H70 N2 O4
• SMILES: O(CCCCCCCCCCCC)c1ccccc1C(=O)Nc1ccc(cc1)Cc1ccc(NC(=O)c2ccccc2OCCCCCCCCCCCC)cc1
• 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: 21.1142 ± 0.0011 Å
• b: 13.4289 ± 0.0007 Å
• c: 16.6656 ± 0.0009 Å
• α: 90°
• β: 95.151 ± 0.001°
• γ: 90°
• Cell volume: 4706.3 ± 0.4 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: 0.227
• Residual factor for significantly intense reflections: 0.1034
• Weighted residual factors for significantly intense reflections: 0.3045
• Weighted residual factors for all reflections included in the refinement: 0.3756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No