Information card for entry 7129901

Structure parameters

• Formula: C16 H19 N O2
• Calculated formula: C16 H19 N O2
• SMILES: C1CN2Cc3cc4OCOc4cc3[C@@H]3[C@H]2[C@H]1CCC3.C1CN2Cc3cc4OCOc4cc3[C@H]3[C@@H]2[C@@H]1CCC3
• Title of publication: Extension of hydrogen borrowing alkylation reactions for the total synthesis of (−)-γ-lycorane
• Authors of publication: Hall, Christopher J. J.; Marriott, Indi S.; Christensen, Kirsten E.; Day, Aaron J.; Goundry, William R. F.; Donohoe, Timothy J.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 9.5572 ± 0.0006 Å
• b: 12.2819 ± 0.001 Å
• c: 12.4294 ± 0.0006 Å
• α: 101.237 ± 0.006°
• β: 99.446 ± 0.005°
• γ: 110.609 ± 0.007°
• Cell volume: 1295.68 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections: 0.2172
• Weighted residual factors for significantly intense reflections: 0.1975
• Weighted residual factors for all reflections included in the refinement: 0.2172
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No