Information card for entry 7152609

Structure parameters

• Common name: ritmc06
• Formula: C21 H30 O5 Si
• Calculated formula: C21 H30 O5 Si
• SMILES: [Si](OCc1c(c(oc1c1ccc(OC)cc1)C)C(=O)OC)(C)(C)C(C)(C)C
• Title of publication: Highly selective synthesis of tetra-substituted furans and cyclopropenes: copper(i)-catalyzed formal cycloadditions of internal aryl alkynes and diazoacetates.
• Authors of publication: Swenson, Andrew K.; Higgins, Kate E.; Brewer, Matthew G.; Brennessel, William W.; Coleman, Michael G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 37
• Pages of publication: 7483 - 7486
• a: 23.271 ± 0.003 Å
• b: 7.479 ± 0.0011 Å
• c: 25.546 ± 0.004 Å
• α: 90°
• β: 99.779 ± 0.002°
• γ: 90°
• Cell volume: 4381.5 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No