Information card for entry 1546729

Structure parameters

• Chemical name: (1<i>R</i>,2<i>R</i>,7<i>S</i>,8<i>R</i>,9<i>R</i>)-<i>N</i>-(2-Hydroxy-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.0^1,7^]dodecan-8-yl)acetamide
• Formula: C17 H29 N O3
• Calculated formula: C17 H29 N O3
• SMILES: [C@@]123[C@@](CCCC([C@@H]1[C@@H]([C@@](CC2)(C)O3)NC(=O)C)(C)C)(C)O
• Title of publication: (1<i>R</i>,2<i>R</i>,7<i>S</i>,8<i>R</i>,9<i>R</i>)-<i>N</i>-(2-Hydroxy-2,6,6,9-tetramethyl-12-oxatricyclo[7.2.1.0^1,7^]dodecan-8-yl)acetamide
• Authors of publication: Benharref, Amed; Ait Elhad, Mustapha; Mazoir, Noureddine; Daran, Jean-Claude; Oukhrib, Abdelouahd; Berraho, Moha
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 7
• Pages of publication: x170970
• a: 14.5077 ± 0.001 Å
• b: 7.9149 ± 0.0004 Å
• c: 14.8297 ± 0.0008 Å
• α: 90°
• β: 106.803 ± 0.007°
• γ: 90°
• Cell volume: 1630.15 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes