Information card for entry 1520338

Structure parameters

• Formula: C28 H36 O5 Si
• Calculated formula: C28 H36 O5 Si
• SMILES: C1(=O)[C@@H]2C[C@@H]3[C@H](C[C@@H]2[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1)OC(C)(C)O3
• Title of publication: (3aR,4aR,7S, 7aS, 8aS)-7-(tert-Butyl-diphenyl-silanyloxymethyl)-2,2-dimethyl- hexahydro-furo[3',4':4,5]benzo[1,2-d][1,3]dioxol-5-one
• Authors of publication: Tizzard, Graham J.; Collins, Ian; Welford, Amanda; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 870
• a: 10.5375 ± 0.0007 Å
• b: 15.9336 ± 0.0012 Å
• c: 31.372 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5267.4 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0948
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No