Information card for entry 1557998

Structure parameters

• Formula: C24 H25 N O
• Calculated formula: C24 H25 N O
• SMILES: c1ccccc1COCC(=C\c1ccc(cc1)N(C)C)/c1ccccc1
• Title of publication: Stereo-controlled anti-hydromagnesiation of aryl alkynes by magnesium hydrides
• Authors of publication: Wang, Bin; Ong, Derek Yiren; Li, Yihang; Pang, Jia Hao; Watanabe, Kohei; Takita, Ryo; Chiba, Shunsuke
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 20
• Pages of publication: 5267 - 5272
• a: 11.9769 ± 0.0003 Å
• b: 5.9444 ± 0.0002 Å
• c: 26.845 ± 0.0008 Å
• α: 90°
• β: 92.8945 ± 0.0013°
• γ: 90°
• Cell volume: 1908.8 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1447
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No