Information card for entry 2203880

Structure parameters

• Chemical name: 6-ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline
• Formula: C14 H21 N O
• Calculated formula: C14 H21 N O
• SMILES: N1C(C)(C)CC(C)c2cc(OCC)ccc12
• Title of publication: 6-Ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline
• Authors of publication: Rybakov, Victor B.; Alekseev, Nikolai V.; Sheludyakov, Vladimir D.; Ivanov, Yury A.; Frolov, Alexei Yu.; Aslanov, Leonid A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1145 - o1146
• a: 13.196 ± 0.004 Å
• b: 8.865 ± 0.006 Å
• c: 11.33 ± 0.011 Å
• α: 90°
• β: 90.77 ± 0.06°
• γ: 90°
• Cell volume: 1325.3 ± 1.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes