Information card for entry 4129700

Structure parameters

• Common name: DCM1
• Formula: C17 H23 N O2
• Calculated formula: C17 H23 N O2
• SMILES: O1C[C@H](N(C1=O)c1ccccc1)[C@H](CCC=C(C)C)C
• Title of publication: Catalytic Olefin Hydroamidation Enabled by Proton-Coupled Electron Transfer.
• Authors of publication: Miller, David C.; Choi, Gilbert J.; Orbe, Hudson S.; Knowles, Robert R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 42
• Pages of publication: 13492 - 13495
• a: 6.3463 ± 0.0004 Å
• b: 14.4931 ± 0.0009 Å
• c: 16.2263 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1492.46 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No