Information card for entry 7108726

Structure parameters

• Formula: C17 H24 O2 Si
• Calculated formula: C17 H24 O2 Si
• SMILES: [Si](C1=C2CC[C@H]3OC[C@@H]4CCC(=C(C1=O)[C@]234)C)(C)(C)C
• Title of publication: A quick access to the spirotricyclic core analogue of mangicol A by a Rh(I)-catalyzed tandem Pauson-Khand/[4+2] cycloaddition
• Authors of publication: Wei Chen; Jia-Hui Tay; Jun Ying; Michal Sabat; Xiao-Qi Yu; Lin Pu
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 170
• a: 9.1005 ± 0.0003 Å
• b: 12.8251 ± 0.0005 Å
• c: 13.4859 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1574 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0308
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No