Information card for entry 1518275

Structure parameters

• Formula: C14 H19 N O
• Calculated formula: C14 H19 N O
• SMILES: NC(=O)[C@H]1[C@H](c2ccc(C(C)(C)C)cc2)C1
• Title of publication: Stereoselective Radical C-H Alkylation with Acceptor/Acceptor-Substituted Diazo Reagents via Co(II)-Based Metalloradical Catalysis.
• Authors of publication: Cui, Xin; Xu, Xue; Jin, Li-Mei; Wojtas, Lukasz; Zhang, X. Peter
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 1219 - 1224
• a: 7.0592 ± 0.0002 Å
• b: 9.6718 ± 0.0003 Å
• c: 18.5618 ± 0.0006 Å
• α: 90°
• β: 91.179 ± 0.002°
• γ: 90°
• Cell volume: 1267.04 ± 0.07 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No