Information card for entry 1559022

Structure parameters

• Chemical name: 11,11-Diphenyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline
• Formula: C27 H18 N2
• Calculated formula: C27 H18 N2
• SMILES: n1c2C(c3ccccc3)(c3ccccc3)c3ccccc3c2nc2c1cccc2
• Title of publication: 11,11-Diphenyl-11<i>H</i>-indeno[1,2-<i>b</i>]quinoxaline
• Authors of publication: Chen, Lin; Hu, Jin; Wu, Li-Li; Sun, Hong-Shun
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 9
• Pages of publication: x201213
• a: 9.642 ± 0.005 Å
• b: 11.407 ± 0.005 Å
• c: 17.858 ± 0.008 Å
• α: 90°
• β: 103.606 ± 0.005°
• γ: 90°
• Cell volume: 1909 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• 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: 0.0616
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes