Information card for entry 7150440

Structure parameters

• Common name: 9-methoxy-2-methyl-1-azaxanthone
• Chemical name: 9-methoxy-2-methyl-1-azaxanthone
• Formula: C14 H11 N O3
• Calculated formula: C14 H11 N O3
• SMILES: n1c(C)ccc2c1oc1c(c2=O)cccc1OC
• 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: 3.82 ± 0.0006 Å
• b: 9.5681 ± 0.0016 Å
• c: 14.756 ± 0.002 Å
• α: 90°
• β: 93.579 ± 0.004°
• γ: 90°
• Cell volume: 538.28 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for all reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0297
• Weighted residual factors for all reflections included in the refinement: 0.0297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No