Information card for entry 7105723

Structure parameters

• Common name: (Z)-ethyl 2-(6-(tert.butyldimethylsiloxyl)benzo(d)(1,3)dioxol- 5-yl)-2-(diphenylphosphorylimino)acetate
• Chemical name: (Z)-ethyl 2-(6-(tert.butyldimethylsiloxyl)benzo[d][1,3]dioxol-5-yl)- 2-(diphenylphosphorylimino)acetate
• Formula: C29 H34 N O6 P Si
• Calculated formula: C29 H34 N O6 P Si
• SMILES: O1COc2cc(c(cc12)O[Si](C)(C)C(C)(C)C)C(=N\P(=O)(c1ccccc1)c1ccccc1)\C(=O)OCC
• Title of publication: Asymmetric Total Synthesis of (+)-Fumimycin via 1,2-Addition to Ketimines
• Authors of publication: Patrick Gross; Filipp Furche; Martin Nieger; Stefan Brase
• Journal of publication: Chem.Commun.
• Year of publication: 2010
• Journal volume: 46
• Pages of publication: 9215
• a: 10.199 ± 0.001 Å
• b: 16.574 ± 0.002 Å
• c: 17.054 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2882.8 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No