Information card for entry 4126776

Structure parameters

• Formula: C19 H23 N O3
• Calculated formula: C19 H23 N O3
• SMILES: O=C1N2[C@@H]3C[C@@H](C(=O)[C@H]4[C@@]3([C@@H]1CCC1=C4C(=O)CC1)C)[C@@H](C2)C
• Title of publication: Total Synthesis of (-)-Himalensine A.
• Authors of publication: Shi, Heyao; Michaelides, Iacovos N.; Darses, Benjamin; Jakubec, Pavol; Nguyen, Quynh Nhu N.; Paton, Robert S.; Dixon, Darren J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 11.3931 ± 0.0002 Å
• b: 11.4712 ± 0.0002 Å
• c: 11.9193 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1557.76 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0382
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections: 0.1011
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9677
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No