Information card for entry 1555354

Structure parameters

• Formula: C18 H32 N2 O
• Calculated formula: C18 H32 N2 O
• SMILES: O=C(N1CCC[C@H]2[C@@H]1C[C@@H](C[C@H]2C[C@H]1NCCCC1)C)C
• Title of publication: Approach to cis-Phlegmarine Alkaloids via Stereodivergent Reduction: Total Synthesis of (+)-Serratezomine E and Putative Structure of (-)-Huperzine N.
• Authors of publication: Bosch, Caroline; Fiser, Béla; Gómez-Bengoa, Enrique; Bradshaw, Ben; Bonjoch, Josep
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 5084 - 5087
• a: 5.287 ± 0.0002 Å
• b: 9.4826 ± 0.0003 Å
• c: 34.033 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1706.23 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0401
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No