Information card for entry 4133645

Structure parameters

• Chemical name: (+)-lycoricidine
• Formula: C14 H15 N O7
• Calculated formula: C14 H15 N O7
• SMILES: O=C1N[C@H]2[C@H](O)[C@H](O)[C@@H](O)C=C2c2c1cc1OCOc1c2.O
• Title of publication: Enantioselective Synthesis of Isocarbostyril Alkaloids and Analogs Using Catalytic Dearomative Functionalization of Benzene.
• Authors of publication: Bingham, Tanner W.; Hernandez, Lucas W.; Olson, Daniel G.; Svec, Riley L.; Hergenrother, Paul J.; Sarlah, David
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 1
• Pages of publication: 657 - 670
• a: 7.2381 ± 0.0003 Å
• b: 9.3207 ± 0.0004 Å
• c: 11.0024 ± 0.0004 Å
• α: 67.514 ± 0.001°
• β: 89.888 ± 0.001°
• γ: 75.525 ± 0.001°
• Cell volume: 660.42 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No