Information card for entry 7158687

Structure parameters

• Chemical name: (+)-Myrtopsine
• Formula: C15 H17 N O4
• Calculated formula: C15 H17 N O4
• SMILES: O1c2nc3c(c(OC)c2[C@@H](O)[C@@H]1C(O)(C)C)cccc3
• Title of publication: Quinoline alkaloids with anti-inflammatory activity from <i>Zanthoxylum avicennae</i>.
• Authors of publication: Ji, Kai-Long; Liu, Wei; Yin, Wei-Hang; Li, Jing-Ya; Yue, Jian-Min
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 20
• Pages of publication: 4176 - 4182
• a: 8.5948 ± 0.0003 Å
• b: 8.5216 ± 0.0003 Å
• c: 18.7212 ± 0.0006 Å
• α: 90°
• β: 100.035 ± 0.001°
• γ: 90°
• Cell volume: 1350.19 ± 0.08 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.99 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: 0.0361
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No