Information card for entry 4025127

Structure parameters

• Chemical name: (Z)-ethyl-2-(5-(alloxy)-2-(tert.butyldimethylsiloxy)-4-methoxyphenyl)-2- (diphenylphosphorylimino)acetate
• Formula: C32 H40 N O6 P Si
• Calculated formula: C32 H40 N O6 P Si
• SMILES: c1(c(O[Si](C)(C)C(C)(C)C)cc(OC)c(OCC=C)c1)/C(=N/P(=O)(c1ccccc1)c1ccccc1)C(=O)OCC
• Title of publication: Synthesis of Methoxyfumimycin with 1,2-Addition to Ketimines
• Authors of publication: Patrick J. Gross; Caroline E. Hartmann; Martin Nieger; Stefan Bräse
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 229 - 232
• a: 12.039 ± 0.002 Å
• b: 21.525 ± 0.002 Å
• c: 13.205 ± 0.002 Å
• α: 90°
• β: 109.94 ± 0.01°
• γ: 90°
• Cell volume: 3216.8 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No