Information card for entry 7116610

Structure parameters

• Formula: C14 H22 F N2 O5 P
• Calculated formula: C14 H22 F N2 O5 P
• SMILES: P(=O)(OC)(OC)[C@@](O)(c1c(F)cccc1)CN=N(=O)C(C)(C)C
• Title of publication: Asymmetric organocatalytic synthesis of quaternary alpha-hydroxy phosphonates: en route to alpha-aryl phosphaisoserines
• Authors of publication: Inmaculada Serrano; David Monge; Eleuterio Alvarez; Rosario Fernandez; Jose M. Lassaletta
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 4077
• a: 7.71 ± 0.002 Å
• b: 12.999 ± 0.004 Å
• c: 17.692 ± 0.005 Å
• α: 90°
• β: 92.506 ± 0.008°
• γ: 90°
• Cell volume: 1771.4 ± 0.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.2394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No