Information card for entry 7153927

Structure parameters

• Chemical name: 6-(4-Methoxyphenyl)-6<i>H</i>-indolo[2,3-b]quinoxaline
• Formula: C21 H15 N3 O
• Calculated formula: C21 H15 N3 O
• SMILES: n1c2n(c3c(c2nc2c1cccc2)cccc3)c1ccc(OC)cc1
• Title of publication: Palladium catalyzed synthesis and physical properties of indolo[2,3-b]quinoxalines.
• Authors of publication: Hung, Tran Quang; Hoang, Do Huy; Thang, Ngo Ngoc; Dang, Tuan Thanh; Ayub, Khurshid; Villinger, Alexander; Friedrich, Aleksej; Lochbrunner, Stefan; Flechsig, Gerd-Uwe; Langer, Peter
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 32
• Pages of publication: 6151 - 6166
• a: 5.9259 ± 0.0003 Å
• b: 11.0893 ± 0.0006 Å
• c: 12.334 ± 0.0006 Å
• α: 79.323 ± 0.003°
• β: 78.333 ± 0.003°
• γ: 86.45 ± 0.003°
• Cell volume: 779.78 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1439
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No