Information card for entry 7154879

Structure parameters

• Common name: ritmc11
• Formula: C20 H21 Cl O2 Si
• Calculated formula: C20 H21 Cl O2 Si
• SMILES: Clc1ccc(C2=C([Si](C)(C)C)C2(C(=O)OC)c2ccccc2)cc1
• Title of publication: Cyclopropenation of internal alkynylsilanes and diazoacetates catalyzed by copper(i) N-heterocyclic carbene complexes.
• Authors of publication: Thomas, Thomas J.; Merritt, Benjamin A.; Lemma, Betsegaw E.; McKoy, Adina M.; Nguyen, Tri; Swenson, Andrew K.; Mills, Jeffrey L.; Coleman, Michael G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 5
• Pages of publication: 1742 - 1747
• a: 8.9739 ± 0.0013 Å
• b: 9.832 ± 0.0014 Å
• c: 11.477 ± 0.0016 Å
• α: 108.891 ± 0.003°
• β: 91.301 ± 0.003°
• γ: 95.799 ± 0.003°
• Cell volume: 951.5 ± 0.2 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No