Information card for entry 7114080

Structure parameters

• Formula: C4 H9 F N O3 P
• Calculated formula: C4 H9 F N O3 P
• SMILES: P1(=O)(OC[C@@H]([NH3+])C[C@H]1F)[O-]
• Title of publication: Stereoselective synthesis of α-monofluorinated phosphonate mimetics of naturally occurring phosphoserine and phosphothreonine, via electrophilic fluorination of lithiated bis-lactim ethersElectronic supplementary information (ESI) available: experimental data. See http://www.rsc.org/suppdata/cc/b2/b204093j/
• Authors of publication: Ruiz, María; Ojea, Vicente; Quintela, José M.; Guillín, Juan J.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 15
• Pages of publication: 1600
• a: 6.7943 ± 0.0013 Å
• b: 8.718 ± 0.003 Å
• c: 11.059 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 655.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for all reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.0627
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No