Information card for entry 7232654

Structure parameters

• Formula: C27 H26 N O5 P S
• Calculated formula: C27 H26 N O5 P S
• Title of publication: Highly chemo- and regioselective C‒P cross-coupling reaction of quinone imine ketals with Ar2P(O)H to construct ortho-amino triarylphosphine derivatives
• Authors of publication: Liu, Teng; Li, Yongqin; Cheng, Feixiang; Shen, Xianfu; Liu, Jianjun; Lin, Jun
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 13
• Pages of publication: 3536
• a: 10.82 ± 0.0009 Å
• b: 17.6091 ± 0.0015 Å
• c: 14.0022 ± 0.0013 Å
• α: 90°
• β: 105.494 ± 0.002°
• γ: 90°
• Cell volume: 2570.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0982
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No