Information card for entry 2225199

Structure parameters

• Chemical name: 7-<i>p</i>-Tolyl-10,11-dihydrobenzo[<i>h</i>]furo[3,4-<i>b</i>]quinolin-\ 8(7<i>H</i>)-one
• Formula: C22 H17 N O2
• Calculated formula: C22 H17 N O2
• SMILES: O1C(=O)C2=C(Nc3c(C2c2ccc(cc2)C)ccc2ccccc32)C1
• Title of publication: 7-<i>p</i>-Tolyl-10,11-dihydrobenzo[<i>h</i>]furo[3,4-<i>b</i>]quinolin-8(7<i>H</i>)-one
• Authors of publication: Shi, Chunling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o668
• a: 10.6954 ± 0.0016 Å
• b: 13.0566 ± 0.0018 Å
• c: 12.183 ± 0.002 Å
• α: 90°
• β: 107.322 ± 0.003°
• γ: 90°
• Cell volume: 1624.1 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0811
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes