Information card for entry 7104307

Structure parameters

• Formula: C17 H29 N O4
• Calculated formula: C17 H29 N O4
• SMILES: N1(CCCC(=O)CCCCCC(=O)CC1)C(=O)OC(C)(C)C
• Title of publication: Polycyclic alkaloids via transannular Mannich reactions.
• Authors of publication: Vital, Paulo; Hosseini, Masood; Shanmugham, M Sundaram; Gotfredsen, Charlotte H; Harris, Pernille; Tanner, David
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 14
• Pages of publication: 1888 - 1890
• a: 5.6851 ± 0.0007 Å
• b: 10.6061 ± 0.0012 Å
• c: 14.1542 ± 0.0016 Å
• α: 93.957 ± 0.002°
• β: 91.847 ± 0.002°
• γ: 96.174 ± 0.002°
• Cell volume: 845.8 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1175
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No