Information card for entry 7152372

Structure parameters

• Formula: C29 H46 O5 Si2
• Calculated formula: C29 H46 O5 Si2
• SMILES: [Si](O[C@@H]1c2c([C@@H]3O[Si](OC([C@H]3[C@]31OC(=O)C=C3C)(C)C)(C(C)C)C(C)C)cccc2)(C)(C(C)(C)C)C.[Si](O[C@H]1c2c([C@H]3O[Si](OC([C@@H]3[C@@]31OC(=O)C=C3C)(C)C)(C(C)C)C(C)C)cccc2)(C)(C(C)(C)C)C
• Title of publication: Dramatic influence of the substitution of alkylidene-5H-furan-2-ones in Diels-Alder cycloadditions with o-quinonedimethide as diene partner: en route to the CDEF polycyclic ring system of lactonamycin.
• Authors of publication: Dubois, Sébastien; Rodier, Fabien; Blanc, Romain; Rahmani, Raphaël; Héran, Virginie; Thibonnet, Jérôme; Commeiras, Laurent; Parrain, Jean-Luc
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 24
• Pages of publication: 4712 - 4719
• a: 25.2489 ± 0.0006 Å
• b: 15.9776 ± 0.0003 Å
• c: 7.6958 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3104.62 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No