Information card for entry 2227778

Structure parameters

• Common name: odorine
• Chemical name: (<i>S</i>)-<i>N</i>-[(<i>R</i>)-1-cinnamoylpyrrolidin-2-yl]-2-methylbutanamide
• Formula: C18 H24 N2 O2
• Calculated formula: C18 H24 N2 O2
• SMILES: O=C(N1CCC[C@@H]1NC(=O)[C@@H](C)CC)/C=C/c1ccccc1
• Title of publication: Absolute configuration of odorine
• Authors of publication: Fun, Hoong-Kun; Chantrapromma, Suchada; Yodsaoue, Orapun; Karalai, Chatchanok
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2437 - o2438
• a: 18.8909 ± 0.0003 Å
• b: 6.8398 ± 0.0001 Å
• c: 13.4174 ± 0.0002 Å
• α: 90°
• β: 107.054 ± 0.001°
• γ: 90°
• Cell volume: 1657.43 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes