Information card for entry 4130304

Structure parameters

• Formula: C23 H38 O3
• Calculated formula: C23 H38 O3
• SMILES: O[C@@H]1C[C@@H]2CC[C@H]3[C@H]4[C@@]([C@@H](C5(OCCO5)C)CC4)(CC[C@@H]3[C@]2(CC1)C)C
• Title of publication: Ph(i-PrO)SiH2: An Exceptional Reductant for Metal-Catalyzed Hydrogen Atom Transfers.
• Authors of publication: Obradors, Carla; Martinez, Ruben M.; Shenvi, Ryan A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 14
• Pages of publication: 4962 - 4971
• a: 6.2267 ± 0.0004 Å
• b: 6.7164 ± 0.0005 Å
• c: 13.4269 ± 0.0009 Å
• α: 77.552 ± 0.003°
• β: 80.072 ± 0.003°
• γ: 68.189 ± 0.002°
• Cell volume: 506.43 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No