Information card for entry 4511903

Structure parameters

• Formula: C16 H31 N O3
• Calculated formula: C16 H31 N O3
• SMILES: OC(=O)CNC(=O)CCCCCCCCCCCCC
• Title of publication: Structure and Thermotropic Phase Behavior of a Homologous Series ofN-Acylglycines: Neuroactive and Antinociceptive Constituents of Biomembranes
• Authors of publication: Reddy, S. Thirupathi; Krovi, Krishna Prasad; Swamy, Musti J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 4944
• a: 92.388 ± 0.016 Å
• b: 4.86 ± 0.0008 Å
• c: 7.6485 ± 0.0013 Å
• α: 90°
• β: 91.702 ± 0.004°
• γ: 90°
• Cell volume: 3432.7 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.2072
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No