Information card for entry 2244193

Structure parameters

• Chemical name: Ethyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
• Formula: C22 H27 N O4
• Calculated formula: C22 H27 N O4
• Title of publication: Synthesis, crystal structures, and Hirshfeld analysis of three hexahydroquinoline derivatives
• Authors of publication: Steiger, Scott A.; Li, Chun; Oliver, Allen G.; Natale, Nicholas R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 11
• a: 15.3492 ± 0.0015 Å
• b: 14.0314 ± 0.0014 Å
• c: 18.3862 ± 0.0018 Å
• α: 90°
• β: 90.0834 ± 0.0017°
• γ: 90°
• Cell volume: 3959.8 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0479
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes