Information card for entry 4101889

Structure parameters

• Formula: C17 H17 N O
• Calculated formula: C17 H17 N O
• SMILES: O=C(N(C)C)/C(=C/c1ccccc1)c1ccccc1
• Title of publication: Palladium-Catalyzed Intermolecular Addition of Formamides to Alkynes
• Authors of publication: Tetsuaki Fujihara; Yuko Katafuchi; Tomohiro Iwai; Jun Terao; Yasushi Tsuji
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 2094 - 2098
• a: 25.137 ± 0.017 Å
• b: 6.351 ± 0.004 Å
• c: 19.808 ± 0.013 Å
• α: 90°
• β: 116.975 ± 0.008°
• γ: 90°
• Cell volume: 2818 ± 3 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No