Information card for entry 1513322

Structure parameters

• Formula: C24 H36 Cl N2 O7
• Calculated formula: C24 H36 Cl N2 O7
• SMILES: N12[C@]34O[C@H]5[C@@H]2[C@@](O[C@H]5CO)(O)C[C@H]4[C@H]2C[C@@H]4N(CC[C@]34c3ccccc13)C[C@H]2CC.O.O.O.[Cl-]
• Title of publication: Melohenines A and B, two unprecedented alkaloids from Melodinus henryi
• Authors of publication: Feng, Tao; Cai, Xiang-Hai; Li, Yan; Wang, Yuan-Yuan; Liu, Ya-Ping; Xie, Ming-Jin; Luo, Xiao-Dong
• Journal of publication: Organic Letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 4834 - 4837
• a: 9.268 ± 0.003 Å
• b: 13.934 ± 0.005 Å
• c: 19.073 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2463.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2274
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.2339
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 1504182
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No