Information card for entry 2233811

Structure parameters

• Common name: 1D-1-<i>O</i>-<i>tert</i>-Butyldiphenylsilyl-2,3,6-<i>O</i>- tris(methoxymethylene)-<i>myo</i>-inositol 4,5-bis(dibenzylphosphate)
• Chemical name: tetrabenzyl (1<i>R</i>,2<i>R</i>,3<i>S</i>,4<i>R</i>,5<i>R</i>,6<i>S</i>)-4-(<i>tert</i>- butyldiphenylsilyloxy)-3,5,6-tris(methoxymethoxy)cyclohexane-1,2-diyl bisphosphate
• Formula: C56 H68 O15 P2 Si
• Calculated formula: C56 H68 O15 P2 Si
• Title of publication: 1<small>D</small>-1-<i>O</i>-<i>tert</i>-Butyldiphenylsilyl-2,3,6-<i>O</i>-tris(methoxymethylene)-<i>myo</i>-inositol 4,5-bis(dibenzylphosphate)
• Authors of publication: Anderson, Regan J.; Gainsford, Graeme J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o900
• a: 10.4052 ± 0.0007 Å
• b: 53.019 ± 0.003 Å
• c: 10.0786 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5560.1 ± 0.6 ų
• Cell temperature: 118 ± 2 K
• Ambient diffraction temperature: 118 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.1809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes