Information card for entry 7151120

Structure parameters

• Formula: C24 H28 F2 O9
• Calculated formula: C24 H28 F2 O9
• SMILES: c1c(OC)c(cc(F)c1OCC(=O)OCC)COCc1c(cc(c(F)c1)OCC(=O)OCC)OC
• 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: 13.7696 ± 0.0005 Å
• b: 8.3551 ± 0.0002 Å
• c: 20.4951 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2357.89 ± 0.12 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1021
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No