Information card for entry 7150443

Structure parameters

• Common name: 2-Methyl-1-azathioxanthone
• Chemical name: 2-Methyl-1-azathioxanthone
• Formula: C13 H9 N O S
• Calculated formula: C13 H9 N O S
• SMILES: S1c2nc(C)ccc2C(=O)c2c1cccc2
• Title of publication: Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.
• Authors of publication: Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 1707 - 1722
• a: 3.8693 ± 0.0005 Å
• b: 12.3848 ± 0.0016 Å
• c: 10.4698 ± 0.0013 Å
• α: 90°
• β: 95.015 ± 0.002°
• γ: 90°
• Cell volume: 499.8 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No