Information card for entry 4036893

Structure parameters

• Formula: C22 H15 N O2
• Calculated formula: C22 H15 N O2
• SMILES: O1/C(=N\c2ccccc2)C(=Cc2ccccc12)C(=O)c1ccccc1
• Title of publication: Direct Construction of 2-Aryliminochromenes from Arynes, N,S-Keteneacetals, and DMF.
• Authors of publication: Wen, Li-Rong; Man, Ning-Ning; Yuan, Wen-Kui; Li, Ming
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 14
• Pages of publication: 5942 - 5948
• a: 18.476 ± 0.003 Å
• b: 10.9715 ± 0.0015 Å
• c: 16.715 ± 0.003 Å
• α: 90°
• β: 105.311 ± 0.002°
• γ: 90°
• Cell volume: 3268 ± 0.9 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1514
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No