Information card for entry 4037819

Structure parameters

• Formula: C15 H21 N O3
• Calculated formula: C15 H21 N O3
• SMILES: O(C(=O)N1[C@H]2CC(=O)[C@H]3C[C@@H](C1)[C@@H]2C=C3)C(C)(C)C.O(C(=O)N1[C@@H]2CC(=O)[C@@H]3C[C@H](C1)[C@H]2C=C3)C(C)(C)C
• Title of publication: Synthetic Entry to the 2-azatricyclo[4.3.2.04,9]undecane Ring System via Tropone.
• Authors of publication: Phelan, Zaki K.; Weiss, Philip S.; He, Yiqun; Guan, Ziyang; Thamattoor, Dasan M.; Griffith, Daniel R.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 10.392 ± 0.002 Å
• b: 13.142 ± 0.004 Å
• c: 11.663 ± 0.003 Å
• α: 90°
• β: 114.467 ± 0.015°
• γ: 90°
• Cell volume: 1449.8 ± 0.7 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 172.99 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No