Information card for entry 7133791

Structure parameters

• Formula: C13.967 H19 N2 O P
• Calculated formula: C14 H19 N2 O P
• Title of publication: Phosphination of aryl/alkyl bromides <i>via</i> Mn-mediated reductive C-P coupling.
• Authors of publication: Dong, Likun; Zhong, Bing; Zhang, Yu-Shan; Yang, Jin-Dong; Cheng, Jin-Pei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 86
• Pages of publication: 12549 - 12552
• a: 8.23898 ± 0.00013 Å
• b: 10.497 ± 0.00016 Å
• c: 18.2476 ± 0.0003 Å
• α: 90°
• β: 97.9891 ± 0.0015°
• γ: 90°
• Cell volume: 1562.82 ± 0.04 ų
• Cell temperature: 172.99 ± 0.1 K
• Ambient diffraction temperature: 172.99 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0885
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2282
• Weighted residual factors for all reflections included in the refinement: 0.2336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0224
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No