Information card for entry 1560014

Structure parameters

• Chemical name: 7,8-Dimethyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxalin-11-one
• Formula: C17 H12 N2 O
• Calculated formula: C17 H12 N2 O
• SMILES: O=C1c2c(c3nc4c(nc13)cc(c(c4)C)C)cccc2
• Title of publication: 7,8-Dimethyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxalin-11-one
• Authors of publication: Chen, Lin; Hu, Jin; Sun, Hong-Shun
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 1
• Pages of publication: x210018
• a: 7.4548 ± 0.0009 Å
• b: 22.976 ± 0.003 Å
• c: 8.3149 ± 0.001 Å
• α: 90°
• β: 115.866 ± 0.003°
• γ: 90°
• Cell volume: 1281.5 ± 0.3 ų
• Cell temperature: 282 K
• Ambient diffraction temperature: 282.34 K
• Number of distinct elements: 4
• 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: 0.0769
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes