Information card for entry 4504035

Structure parameters

• Chemical name: Propylamide of 7,7-diethyl-5-hydroxymethyl-6-oxabicyclo[3.2.1] -1-carboxylic acid [1g]
• Formula: C16 H29 N O3
• Calculated formula: C16 H29 N O3
• Title of publication: Role of the Molecular Conformation in the Two- and Three-Dimensional Supramolecular Structure of 10 Hydroxyl-N-alkylamides
• Authors of publication: Foces-Foces, Concepción; López-Rodríguez, Matías; Pérez, Cirilo; Martín, Julio D.; Pérez-Hernández, Natalia
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 905
• a: 9.667 ± 0.0002 Å
• b: 12.775 ± 0.0003 Å
• c: 14.017 ± 0.0004 Å
• α: 87.533 ± 0.002°
• β: 89.161 ± 0.001°
• γ: 69.512 ± 0.001°
• Cell volume: 1620.04 ± 0.07 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2017
• Weighted residual factors for all reflections included in the refinement: 0.2345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No