Information card for entry 4505454

Structure parameters

• Formula: C32 H63 N O3
• Calculated formula: C32 H63 N O3
• SMILES: O=C(OCCNC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCC
• Title of publication: Nonclassical Odd‒even Alternation in Mixed-Chain Diacylethanolamines: Implications of Polymorphism
• Authors of publication: Tarafdar, Pradip K.; Reddy, S. Thirupathi; Swamy, Musti J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 1132
• a: 9.087 ± 0.005 Å
• b: 4.925 ± 0.003 Å
• c: 74.87 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3351 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1852
• Residual factor for significantly intense reflections: 0.1085
• Weighted residual factors for significantly intense reflections: 0.2216
• Weighted residual factors for all reflections included in the refinement: 0.263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No