Information card for entry 4505712

Structure parameters

• Formula: C44 H64 N2 O4
• Calculated formula: C44 H64 N2 O4
• SMILES: C(CCCCCCOc1ccccc1C(=O)Nc1ccc(NC(=O)c2c(OCCCCCCCCCCCC)cccc2)cc1)CCCCC
• 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: 13.5437 ± 0.0003 Å
• b: 10.0983 ± 0.0002 Å
• c: 15.0488 ± 0.0001 Å
• α: 90°
• β: 93.253 ± 0.001°
• γ: 90°
• Cell volume: 2054.88 ± 0.06 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: 0.1022
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1647
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No