Information card for entry 2010774

Structure parameters

• Chemical name: (±)-9-(2-Bromophenyl)-7,7-dimethyl-1,3,4,5,6,7,8,9-octahydrofuro[3,4- b]quinoline-1,8-dione
• Formula: C19 H18 Br N O3
• Calculated formula: C19 H18 Br N O3
• SMILES: Brc1c(C2C3=C(NC4=C2C(=O)C(CC4)(C)C)COC3=O)cccc1
• Title of publication: (±)-9-(2-Bromophenyl)-7,7-dimethyl-1,3,4,5,6,7,8,9-octahydrofuro[3,4-<i>b</i>]quinoline-1,8-dione
• Authors of publication: Şimşek, Rahime; Linden, Anthony; Şafak, Cihat
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 351 - 353
• a: 11.724 ± 0.005 Å
• b: 10.911 ± 0.004 Å
• c: 14.218 ± 0.006 Å
• α: 90°
• β: 113.11 ± 0.04°
• γ: 90°
• Cell volume: 1672.8 ± 1.3 ų
• Cell temperature: 180 ± 1 K
• Ambient diffraction temperature: 180 ± 1 K
• Number of distinct elements: 5
• 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: 0.16
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes