Information card for entry 2226437

Structure parameters

• Chemical name: 4-(8-Ethoxy-2,3-dihydro-1<i>H</i>-cyclopenta[<i>c</i>]quinolin-4-yl)butane- 1-peroxol
• Formula: C18 H23 N O3
• Calculated formula: C18 H23 N O3
• SMILES: O(O)CCCCc1nc2c(cc(OCC)cc2)c2CCCc12
• Title of publication: 4-(8-Ethoxy-2,3-dihydro-1<i>H</i>-cyclopenta[<i>c</i>]quinolin-4-yl)butane-1-peroxol
• Authors of publication: Fotie, Jean; Fronczek, Chris F.; Burns, Kyle A.; Fronczek, Frank R.; Bain, Cheryl; Bohle, D. Scott; Poudeu, Ferdinand P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1660
• a: 8.0113 ± 0.0002 Å
• b: 8.5091 ± 0.0002 Å
• c: 12.6334 ± 0.0003 Å
• α: 73.605 ± 0.001°
• β: 74.936 ± 0.001°
• γ: 78.136 ± 0.001°
• Cell volume: 789.63 ± 0.03 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.0423
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes