Information card for entry 1553492

Structure parameters

• Formula: C29 H44 O6 Si
• Calculated formula: C29 H44 O6 Si
• SMILES: [C@@H]1([C@@H]2[C@H]([C@@]3(C[C@H]([C@@H]([C@]4([C@H](C[C@H]2CCC1)O4)C3)C)O)O[Si](C)(C)C(C)(C)C)OC(=O)c1ccccc1)O
• 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: 11.5223 ± 0.0012 Å
• b: 14.9948 ± 0.0015 Å
• c: 16.4141 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2835.9 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No