Information card for entry 2208224

Structure parameters

• Common name: (S)-(-)-2,3-Dimethoxy-8-oxoberbine
• Chemical name: (S)-(-)-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-dibenzo[a,g]quinolizin-8-one
• Formula: C19 H19 N O3
• Calculated formula: C19 H19 N O3
• SMILES: O(c1cc2c(cc1OC)CCN1C(=O)c3ccccc3C[C@@H]21)C
• Title of publication: (<i>S</i>)-(–)-2,3-Dimethoxy-8-oxoberbine
• Authors of publication: Gzella, Andrzej; Chrzanowska, Maria; Dreas, Agnieszka; Froelich, Anna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o598 - o600
• a: 7.953 ± 0.0012 Å
• b: 7.7145 ± 0.0012 Å
• c: 12.7627 ± 0.0012 Å
• α: 90°
• β: 95.76 ± 0.01°
• γ: 90°
• Cell volume: 779.08 ± 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: 0.039
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No