Information card for entry 4033089

Structure parameters

• Formula: C26 H31 O P
• Calculated formula: C26 H31 O P
• SMILES: P(c1oc2c(c1c1ccccc1)cccc2)(C1CCCCC1)C1CCCCC1
• Title of publication: Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.
• Authors of publication: Wang, Huanan; Wang, Baiquan; Li, Bin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 18
• Pages of publication: 9560 - 9569
• a: 12.193 ± 0.002 Å
• b: 12.336 ± 0.002 Å
• c: 14.229 ± 0.002 Å
• α: 90°
• β: 99.021 ± 0.005°
• γ: 90°
• Cell volume: 2113.8 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No