Information card for entry 1506648

Structure parameters

• Formula: C8 H11 O4 P
• Calculated formula: C8 H11 O4 P
• SMILES: [P@]12(=O)O[C@H](C=CCO1)C[C@H](O2)C=C
• Title of publication: Multivalent activation in temporary phosphate tethers: a new tether for small molecule synthesis.
• Authors of publication: Whitehead, Alan; McReynolds, Matthew D.; Moore, Joel D.; Hanson, Paul R.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 15
• Pages of publication: 3375 - 3378
• a: 6.8895 ± 0.0014 Å
• b: 7.8323 ± 0.0016 Å
• c: 16.708 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 901.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0296
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No