Information card for entry 1553823

Structure parameters

• Formula: C24 H21 F2 O3 P
• Calculated formula: C24 H21 F2 O3 P
• SMILES: c1(ccccc1)P(=O)(c1ccccc1)/C(=C/C(F)(F)C(=O)OCC)c1ccccc1
• Title of publication: Phosphinodifluoroalkylation of alkynes using P(O)H compounds and ethyl difluoroiodoacetate
• Authors of publication: Zhang, Pengbo; Ying, Jianxi; Tang, Guo; Zhao, Yufen
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 2054
• a: 25.317 ± 0.004 Å
• b: 8.8649 ± 0.0015 Å
• c: 22.042 ± 0.004 Å
• α: 90°
• β: 120.571 ± 0.002°
• γ: 90°
• Cell volume: 4259.3 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0601
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No