Information card for entry 7131195

Structure parameters

• Formula: C20 H16 N2 O
• Calculated formula: C20 H16 N2 O
• SMILES: OC1N(c2ccccc2)c2c(N=C1c1ccccc1)cccc2
• Title of publication: Dearomative bis-functionalization of quinoxalines and bis-<i>N</i>-arylation of (benz)imidazoles <i>via</i> Cu(II)-mediated addition of boronic acids.
• Authors of publication: Khandelia, Tamanna; Ghosh, Subhendu; Patel, Bhisma K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 15
• Pages of publication: 2118 - 2121
• a: 9.054 ± 0.0007 Å
• b: 11.6026 ± 0.0005 Å
• c: 29.7549 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3125.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No