Information card for entry 1555592

Structure parameters

• Formula: C66 H66 O12 P2
• Calculated formula: C66 H64.5 O12 P2
• SMILES: P1(=O)(O[C@@H](c2ccccc2)CC[C@@H](O1)c1ccccc1)O[C@H]1[C@H](OCc2ccccc2)[C@@H](OP2(=O)O[C@@H](c3ccccc3)CC[C@@H](O2)c2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1
• Title of publication: A Chiral Phosphoramidite Reagent for the Synthesis of Inositol Phosphates.
• Authors of publication: Durantie, Estelle; Huwiler, Samuel; Leroux, Jean-Christophe; Castagner, Bastien
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 13
• Pages of publication: 3162 - 3165
• a: 11.2057 ± 0.0008 Å
• b: 15.2204 ± 0.0014 Å
• c: 18.506 ± 0.002 Å
• α: 71.165 ± 0.006°
• β: 81.596 ± 0.006°
• γ: 89.993 ± 0.006°
• Cell volume: 2951.5 ± 0.5 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1512
• Residual factor for significantly intense reflections: 0.1275
• Weighted residual factors for significantly intense reflections: 0.2978
• Weighted residual factors for all reflections included in the refinement: 0.32
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No