Information card for entry 7153554

Structure parameters

• Formula: C14 H15 N O2
• Calculated formula: C14 H15 N O2
• SMILES: N12CCc3ccccc3[C@H]1C[C@]1(O[C@H]1C2=O)C.N12CCc3ccccc3[C@@H]1C[C@@]1(O[C@@H]1C2=O)C
• Title of publication: Diastereoselective synthesis of epoxide-fused benzoquinolizidine derivatives using intramolecular domino aza-Michael addition/Darzens reaction.
• Authors of publication: Guo, Jiajia; Sun, Xiaoyang; Yu, Shouyun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 265 - 268
• a: 7.607 ± 0.0015 Å
• b: 16.348 ± 0.003 Å
• c: 9.994 ± 0.002 Å
• α: 90°
• β: 110.8 ± 0.03°
• γ: 90°
• Cell volume: 1161.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1212
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No