Information card for entry 2244192

Structure parameters

• Chemical name: Ethyl 4-(2-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: 7.2941 ± 0.0002 Å
• b: 9.6773 ± 0.0003 Å
• c: 14.4302 ± 0.0004 Å
• α: 82.1992 ± 0.0017°
• β: 88.3216 ± 0.0016°
• γ: 75.9397 ± 0.0016°
• Cell volume: 978.92 ± 0.05 ų
• Cell temperature: 299.64 K
• Ambient diffraction temperature: 299.64 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes