Information card for entry 1544694

Structure parameters

• Chemical name: Ethyl 8-amino-7-(furan-2-yl)-5,6-dihydrothieno[2,3-<i>b</i>]benzo[<i>h</i>]quinoline-9-carboxylate
• Formula: C22 H18 N2 O3 S
• Calculated formula: C22 H18 N2 O3 S
• Title of publication: Ethyl 8-amino-7-(furan-2-yl)-5,6-dihydrothieno[2,3-<i>b</i>]benzo[<i>h</i>]quinoline-9-carboxylate
• Authors of publication: Bakhite, Etify A.; Kaur, Manpreet; Akkurt, Mehmet; Mohamed, Shaaban K.; Jasinski, Jerry P.; Albayati, Mustafa R.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 11
• Pages of publication: x161884
• a: 11.5227 ± 0.0001 Å
• b: 25.5293 ± 0.0003 Å
• c: 12.4749 ± 0.0001 Å
• α: 90°
• β: 90.038 ± 0.001°
• γ: 90°
• Cell volume: 3669.7 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0478
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes