Information card for entry 4026671

Structure parameters

• Formula: C24 H23 N O6
• Calculated formula: C24 H23 N O6
• SMILES: N1([C@@H]2C[C@H](CCOC(=O)c3ccccc3)[C@H]1[C@@H]1[C@H]2OC(=O)c2c1cc1OCOc1c2)C
• Title of publication: Structure of the Lycorinine Alkaloid Nobilisitine A
• Authors of publication: Brett D. Schwartz; Lorenzo V. White; Martin G. Banwell; Anthony C. Willis
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 8560 - 8563
• a: 8.4886 ± 0.0002 Å
• b: 12.6225 ± 0.0003 Å
• c: 19.7837 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2119.77 ± 0.08 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: 0.0412
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No