Information card for entry 7151121

Structure parameters

• Formula: C12 H15 F O5
• Calculated formula: C12 H15 F O5
• SMILES: Fc1cc(c(OC)cc1OCC(=O)OCC)CO
• Title of publication: Synthesis and evaluation of 2-(2-fluoro-4-hydroxymethyl-5-methoxy-phenoxy)acetic acid as a linker in solid-phase synthesis monitored by gel-phase (19)F NMR spectroscopy.
• Authors of publication: Wallner, Fredrik K.; Spjut, Sara; Boström, Dan; Elofsson, Mikael
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 2464 - 2471
• a: 4.7854 ± 0.0006 Å
• b: 11.316 ± 0.002 Å
• c: 22.705 ± 0.003 Å
• α: 80.348 ± 0.008°
• β: 86.525 ± 0.01°
• γ: 86.318 ± 0.007°
• Cell volume: 1208.1 ± 0.3 ų
• Cell temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.246
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No