Information card for entry 1504336

Structure parameters

• Formula: C14 H23 N O2
• Calculated formula: C14 H23 N O2
• SMILES: O=C1N2CC[C@@H]3C[C@H](O)[C@H]([C@H](CCC1)[C@H]23)CC.O=C1N2CC[C@H]3C[C@@H](O)[C@@H]([C@@H](CCC1)[C@@H]23)CC
• Title of publication: Explorations ofStemonaAlkaloid-Inspired Analogues: Skeletal Modification and Functional Group Diversification
• Authors of publication: Frankowski, Kevin J.; Neuenswander, Benjamin; Aubé, Jeffrey
• Journal of publication: Journal of Combinatorial Chemistry
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 721
• a: 5.2318 ± 0.0006 Å
• b: 8.6863 ± 0.001 Å
• c: 13.9249 ± 0.0016 Å
• α: 77.485 ± 0.002°
• β: 81.316 ± 0.002°
• γ: 82.478 ± 0.002°
• Cell volume: 607.53 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0601
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No