Information card for entry 1507852

Structure parameters

• Formula: C24 H15 N O2
• Calculated formula: C24 H15 N O2
• SMILES: n1cc2C(=O)c3ccccc3Oc2c(c1c1ccccc1)c1ccccc1
• Title of publication: Direct synthesis of functional azaxanthones by using a domino three-component reaction.
• Authors of publication: Yan, Jianwei; Cheng, Ming; Hu, Feng; Hu, Youhong
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 3206 - 3209
• a: 14.1386 ± 0.0019 Å
• b: 6.9808 ± 0.001 Å
• c: 17.394 ± 0.002 Å
• α: 90°
• β: 101.471 ± 0.002°
• γ: 90°
• Cell volume: 1682.5 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No