Information card for entry 2010055

Structure parameters

• Chemical name: [pentacarbonyl[1'R,2'S,3'R,6'R-2'-tert-buthyldimethylsilyloxy-6'- (2-furyl)-4'-oxo]cyclohex-1'-ylmethoxymethylen]tungsten(0) complex
• Formula: C25 H32 O9 Si W
• Calculated formula: C25 H32 O9 Si W
• SMILES: [W](=C(OC)[C@@H]1[C@@H](CO[Si](C(C)(C)C)(C)C)[C@H](C(=O)C[C@H]1c1occc1)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: {[(1<i>R</i>,2<i>S</i>,3<i>R</i>,6<i>R</i>)-2-(<i>tert</i>-Butyldimethylsilyloxymethyl)-6-(2-furyl)-3-methyl-4-oxocyclohexyl](methoxy)methylene}pentacarbonyltungsten(0)
• Authors of publication: García-Granda, Santiago; Pérez-Carreqo, Enrique; Paneque-Quevedo, Armando A.; Barluenga, Sofía; Martín, Alfredo
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 1430 - 1432
• a: 8.807 ± 0.019 Å
• b: 15.163 ± 0.005 Å
• c: 21.47 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2867 ± 8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0253
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for all reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0469
• Goodness-of-fit parameter for all reflections: 1.059
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No