Information card for entry 7129052

Structure parameters

• Formula: C19 H19 N O
• Calculated formula: C19 H19 N O
• SMILES: c1(ccc(cc1)CCCc1nccc2c1cccc2)OC
• Title of publication: Ligand-controlled, Pd/CuH-catalyzed reductive cross-coupling of terminal alkenes and <i>N</i>-heteroaryl bromides.
• Authors of publication: Seo, Sanghyup; Kim, Donghyeon; Kim, Hyunwoo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 85
• Pages of publication: 11240 - 11243
• a: 9.66 ± 0.004 Å
• b: 14.86 ± 0.008 Å
• c: 10.952 ± 0.005 Å
• α: 90°
• β: 102.555 ± 0.017°
• γ: 90°
• Cell volume: 1534.5 ± 1.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1434
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.2149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No