Information card for entry 1559815

Structure parameters

• Chemical name: Ethyl 2-((8R,9S,13S,14S,16S,17S)-17-((tert-butyldimethylsilyl)oxy)-3-methoxy- 13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)acetate
• Formula: C29 H46 O4 Si
• Calculated formula: C29 H46 O4 Si
• SMILES: [Si](O[C@@H]1[C@]2(CC[C@@H]3c4c(cc(OC)cc4)CC[C@H]3[C@@H]2C[C@H]1CC(=O)OCC)C)(C(C)(C)C)(C)C
• Title of publication: A Giese reaction for electron-rich alkenes.
• Authors of publication: Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 2225 - 2230
• a: 6.44725 ± 0.00004 Å
• b: 10.18619 ± 0.00006 Å
• c: 22.76512 ± 0.00012 Å
• α: 101.785 ± 0.0005°
• β: 91.4615 ± 0.0005°
• γ: 98.5773 ± 0.0005°
• Cell volume: 1444.75 ± 0.015 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No