Information card for entry 4504040

Structure parameters

• Chemical name: Bencylamide of 7,7-dicyclopropyl-5-hydroxymethyl-6- oxa-bicyclo[3.2.1] -1-carboxylic acid [1p]
• Formula: C22 H29 N O3
• Calculated formula: C22 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: 15.39 ± 0.0017 Å
• b: 10.779 ± 0.0017 Å
• c: 23.333 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3870.7 ± 1.8 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No