Information card for entry 1505520

Structure parameters

• Formula: C20 H19 N O9
• Calculated formula: C20 H19 N O9
• SMILES: O1c2cc3C(=O)N[C@@H]4[C@@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)C=C4c3cc2OC1
• Title of publication: Chemoenzymatic approaches to lycorine-type Amaryllidaceae alkaloids: total syntheses of ent-lycoricidine, 3-epi-ent-lycoricidine, and 4-deoxy-3-epi-ent-lycoricidine.
• Authors of publication: Matveenko, Maria; Kokas, Okanya J.; Banwell, Martin G.; Willis, Anthony C.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 18
• Pages of publication: 3683 - 3685
• a: 8.0014 ± 0.0001 Å
• b: 8.2641 ± 0.0002 Å
• c: 28.8922 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1910.48 ± 0.07 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• 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: 0.0428
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections included in the refinement: 0.0339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1637
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No