Information card for entry 4102487

Structure parameters

• Formula: C19 H14 N2 O2
• Calculated formula: C19 H14 N2 O2
• SMILES: c1cc2ccccc2cc1C1=NC2(C=CC(=O)C=C2)N(C1=O)C
• Title of publication: Copper-Catalyzed Synthesis of Azaspirocyclohexadienones from α-Azido-N-arylamides under an Oxygen Atmosphere
• Authors of publication: Shunsuke Chiba; Line Zhang; Jian-Yuan Lee
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 7266 - 7267
• a: 7.0717 ± 0.0009 Å
• b: 10.4575 ± 0.0014 Å
• c: 11.1343 ± 0.0015 Å
• α: 79.445 ± 0.008°
• β: 73.634 ± 0.007°
• γ: 76.889 ± 0.007°
• Cell volume: 763.16 ± 0.18 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0593
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.128
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No