Information card for entry 2225236

Structure parameters

• Common name: 1,5-Di-(4-methoxyphenyl)-3-hexahydrocyclopentaquinolylbiuret
• Chemical name: 3-(2,3,5,6,7,8-Hexahydro- 1<i>H</i>-cyclopenta[<i>b</i>]quinolin-9-yl)-1,5-bis(4-methoxyphenyl)biuret
• Formula: C28 H30 N4 O4
• Calculated formula: C28 H30 N4 O4
• SMILES: O=C(N(c1c2c(nc3c1CCC3)CCCC2)C(=O)Nc1ccc(OC)cc1)Nc1ccc(OC)cc1
• Title of publication: 3-(2,3,5,6,7,8-Hexahydro-1<i>H</i>-cyclopenta[<i>b</i>]quinolin-9-yl)-1,5-bis(4-methoxyphenyl)biuret
• Authors of publication: Sakurai, Kaori; Noguchi, Keiichi; Nishibe, Koichiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o655
• a: 22.4514 ± 0.0004 Å
• b: 12.7128 ± 0.0002 Å
• c: 8.83183 ± 0.00016 Å
• α: 90°
• β: 105.526 ± 0.001°
• γ: 90°
• Cell volume: 2428.8 ± 0.07 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes