Information card for entry 4038098

Structure parameters

• Formula: C25 H35 F3 O6 Si
• Calculated formula: C25 H35 F3 O6 Si
• SMILES: [Si](OCC([C@H](OC(=O)[C@](OC)(C(F)(F)F)c1ccccc1)C#CC(=O)OC)(C)C)(C(C)(C)C)(C)C
• Title of publication: Asymmetric Total Synthesis of Inthomycins A, B, and C.
• Authors of publication: Kim, Jae Hyun; Song, Yeonghun; Kim, Min Jung; Kim, Sanghee
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• Journal volume: 85
• Journal issue: 7
• Pages of publication: 4795 - 4806
• a: 13.1127 ± 0.0007 Å
• b: 7.7038 ± 0.0004 Å
• c: 14.0568 ± 0.0007 Å
• α: 90°
• β: 97.859 ± 0.004°
• γ: 90°
• Cell volume: 1406.65 ± 0.13 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No