Information card for entry 1549706

Structure parameters

• Formula: C19 H18 N2 O
• Calculated formula: C19 H18 N2 O
• SMILES: O=C(Nc1cccc2cccnc12)CCCc1ccccc1
• Title of publication: Nickel(0)-catalyzed linear-selective hydroarylation of unactivated alkenes and styrenes with aryl boronic acids.
• Authors of publication: Lv, Honggui; Xiao, Li-Jun; Zhao, Dongbing; Zhou, Qi-Lin
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 33
• Pages of publication: 6839 - 6843
• a: 11.268 ± 0.002 Å
• b: 16.335 ± 0.003 Å
• c: 9.5163 ± 0.0019 Å
• α: 90°
• β: 114.91 ± 0.03°
• γ: 90°
• Cell volume: 1588.6 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.083
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No