Information card for entry 4504791

Structure parameters

• Formula: C16 H31 N O2
• Calculated formula: C16 H31 N O2
• Title of publication: Supramolecular Hydrogen Bond Isomerism in Organic Salts: A Transition from 0D to 1D
• Authors of publication: Trivedi, Darshak R.; Dastidar, Parthasarathi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 1022
• a: 19.2547 ± 0.0015 Å
• b: 8.8429 ± 0.0007 Å
• c: 18.785 ± 0.0014 Å
• α: 90°
• β: 92.582 ± 0.001°
• γ: 90°
• Cell volume: 3195.2 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No