Information card for entry 7105185

Structure parameters

• Formula: C15 H23 N O3
• Calculated formula: C15 H23 N O3
• SMILES: N12[C@H]3CC(=O)[C@@H](C(=O)OCC)[C@@H]2CCC[C@@H]1CCC3.N12[C@@H]3CC(=O)[C@H](C(=O)OCC)[C@H]2CCC[C@H]1CCC3
• Title of publication: Diversity-oriented synthesis of bicyclic and tricyclic alkaloids.
• Authors of publication: Díaz-Gavilán, Mónica; Galloway, Warren R J D; O'Connell, Kieron M G; Hodkingson, James T; Spring, David R
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 776 - 778
• a: 8.6717 ± 0.0002 Å
• b: 8.8865 ± 0.0002 Å
• c: 9.6551 ± 0.0002 Å
• α: 86.555 ± 0.001°
• β: 72.478 ± 0.001°
• γ: 80.643 ± 0.001°
• Cell volume: 700.02 ± 0.03 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 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: 0.0514
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No