Information card for entry 4026670

Structure parameters

• Formula: C17 H19 N O5
• Calculated formula: C17 H19 N O5
• SMILES: N1(CC[C@H]2C[C@H]([C@H]3[C@@H]([C@@H]12)c1cc2OCOc2cc1C(=O)O3)O)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: 7.2268 ± 0.0003 Å
• b: 9.4022 ± 0.0003 Å
• c: 22.4907 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1528.19 ± 0.1 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: 0.0444
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No