Information card for entry 4505458

Structure parameters

• Common name: N-palmitoyl, O-lauroylethanolamine at100K
• Formula: C30 H59 N O3
• Calculated formula: C30 H59 N O3
• SMILES: O=C(OCCNC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCC
• 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: 8.7611 ± 0.001 Å
• b: 4.8641 ± 0.0005 Å
• c: 68.422 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2915.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0719
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.718
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No