Information card for entry 2224653

Structure parameters

• Chemical name: 6-Formyl-2-naphthyl <i>cis</i>-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylate
• Formula: C23 H23 N O5
• Calculated formula: C23 H23 N O5
• SMILES: O=Cc1cc2c(cc1)cc(OC(=O)C1(C)C[C@@]3(C[C@](C1)(C(=O)NC3=O)C)C)cc2
• Title of publication: 6-Formyl-2-naphthyl <i>cis</i>-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxylate
• Authors of publication: Xu, Sheng-guang; Wang, Chun-hua; Liu, Jun-shen; Liu, Xi-guang; Li, Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o245
• a: 11.896 ± 0.002 Å
• b: 11.692 ± 0.002 Å
• c: 16.636 ± 0.002 Å
• α: 90°
• β: 121.124 ± 0.009°
• γ: 90°
• Cell volume: 1980.8 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes