Information card for entry 4127060

Structure parameters

• Common name: none
• Chemical name: Compound5t
• Formula: C18 H25 N O5
• Calculated formula: C18 H25 N O5
• SMILES: [C@H]1(CC[C@H](C[C@]1(C)O)C)[C@@H](C)COC(=O)c1ccc(cc1)N(=O)=O
• Title of publication: Rhodium-Catalyzed Regioselective Silylation of Alkyl C-H Bonds for the Synthesis of 1,4-Diols.
• Authors of publication: Karmel, Caleb; Li, Bi-Jie; Hartwig, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 6.5555 ± 0.0003 Å
• b: 7.2872 ± 0.0003 Å
• c: 17.9836 ± 0.0007 Å
• α: 88.767 ± 0.002°
• β: 87.077 ± 0.002°
• γ: 88.171 ± 0.002°
• Cell volume: 857.37 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0464
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No