Information card for entry 1502859

Structure parameters

• Formula: C18 H31 N O2
• Calculated formula: C18 H31 N O2
• SMILES: N12C(=O)CC[C@@]31CCCC[C@@H]3[C@H](C[C@H]2CCCCCC)O.N12C(=O)CC[C@]31CCCC[C@H]3[C@@H](C[C@@H]2CCCCCC)O
• Title of publication: A tandem Prins/Schmidt reaction approach to marine alkaloids: formal and total syntheses of lepadiformines A and C.
• Authors of publication: Meyer, Angelica M.; Katz, Christopher E.; Li, Sze-Wan; Vander Velde, David; Aubé, Jeffrey
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1244 - 1247
• a: 8.0408 ± 0.0012 Å
• b: 9.8552 ± 0.0016 Å
• c: 11.1629 ± 0.0018 Å
• α: 82.241 ± 0.004°
• β: 71.089 ± 0.003°
• γ: 83.872 ± 0.004°
• Cell volume: 827.3 ± 0.2 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: 0.0496
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No