Information card for entry 4023518

Structure parameters

• Formula: C20 H32 Cl2 O5 Si
• Calculated formula: C20 H32 Cl2 O5 Si
• SMILES: [Si](C1=C2[C@](O)([C@@]3(O)CCC4(OCCO4)C[C@H]3CCC2)CC1=O)(C)(C)C.ClCCl.[Si](C1=C2[C@@](O)([C@]3(O)CCC4(OCCO4)C[C@@H]3CCC2)CC1=O)(C)(C)C.ClCCl
• Title of publication: A General Synthetic Route to Differentially Functionalized Angularly and Linearly Fused [6-7-5] Ring Systems: A Rh(I)-Catalyzed Cyclocarbonylation Reaction
• Authors of publication: Kay M. Brummond; Daitao Chen; Matthew M. Davis
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 5064 - 5068
• a: 14.1725 ± 0.0011 Å
• b: 13.632 ± 0.0011 Å
• c: 12.9642 ± 0.001 Å
• α: 90°
• β: 114.16 ± 0.002°
• γ: 90°
• Cell volume: 2285.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.2173
• Weighted residual factors for all reflections included in the refinement: 0.2407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No