Information card for entry 4025128

Structure parameters

• Chemical name: (E)-N-(5-hydroxy-6-methoxy-3-methyl-2-oxo-4-(prop-1-enyl)-2,3-dihydro- benzofuran-3-yl)-P,P-diphenylphosphinic amide
• Formula: C25 H24 N O5 P
• Calculated formula: C25 H24 N O5 P
• SMILES: O1C(=O)C(C)(NP(=O)(c2ccccc2)c2ccccc2)c2c(/C=C/C)c(O)c(OC)cc12
• 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: 10.199 ± 0.001 Å
• b: 13.332 ± 0.001 Å
• c: 17.8 ± 0.001 Å
• α: 99.86 ± 0.01°
• β: 105.95 ± 0.01°
• γ: 103.28 ± 0.01°
• Cell volume: 2192.7 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1231
• 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