Information card for entry 7113992

Structure parameters

• Formula: C21 H23 Br F N4 O7 P
• Calculated formula: C21 H23 Br F N4 O7 P
• Title of publication: Pd-catalyzed highly regio-, diastereo-, and enantioselective allylic alkylation of alpha-fluorophosphonates
• Authors of publication: Ying Huang; Qing-Song Zhang; Ping Fang; Tie-Gen Chen; Jun Zhu; Xue-Long Hou
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 6751
• a: 21.48 ± 0.0019 Å
• b: 15.0402 ± 0.0013 Å
• c: 15.687 ± 0.0014 Å
• α: 90°
• β: 95.205 ± 0.002°
• γ: 90°
• Cell volume: 5047 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No