Information card for entry 1553493

Structure parameters

• Formula: C29 H40 O5 Si
• Calculated formula: C29 H40 O5 Si
• SMILES: C1(=O)[C@H]2[C@@H]([C@@]3(CC=C([C@@]4(O[C@H]4C[C@@H]2CCC1)C3)C)O[Si](C)(C)C(C)(C)C)OC(=O)c1ccccc1
• Title of publication: Towards taxane analogues synthesis by dienyne ring closing metathesis
• Authors of publication: Pérez-Estrada, S.; Sayar, N.; Granja, J. R.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 1331
• a: 27.836 ± 0.004 Å
• b: 7.8125 ± 0.001 Å
• c: 14.1759 ± 0.0019 Å
• α: 90°
• β: 92.711 ± 0.002°
• γ: 90°
• Cell volume: 3079.4 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No