Information card for entry 4038552

Structure parameters

• Formula: C25 H19 O2 P
• Calculated formula: C25 H19 O2 P
• Title of publication: Multicomponent reaction of phosphines, benzynes and CO2: facile synthesis of stable zwitterionic phosphonium inner-salts.
• Authors of publication: Xie, Pei; Yang, Shoushan; Guo, Yuyu; Cai, Zhihua; Dai, Bin; He, Lin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.9751 ± 0.0004 Å
• b: 14.6491 ± 0.0005 Å
• c: 14.8894 ± 0.0005 Å
• α: 90°
• β: 93.64 ± 0.002°
• γ: 90°
• Cell volume: 2171.34 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 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: 0.0791
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No