Information card for entry 4504031

Structure parameters

• Chemical name: Methylamide of the 7,7-dimethyl-5-hydroxymethyl- 6-oxabicyclo[3.2.1]-1-carboxylic acid [1a]
• Formula: C12 H21 N O3
• Calculated formula: C12 H21 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: 10.6102 ± 0.0003 Å
• b: 16.4684 ± 0.0004 Å
• c: 13.9943 ± 0.0005 Å
• α: 90°
• β: 93.248 ± 0.001°
• γ: 90°
• Cell volume: 2441.34 ± 0.13 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0855
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No