Information card for entry 7105726

Structure parameters

• Common name: N-(7-methyl-6-oxo-6,7-dihydro-(1,3)-dioxolo(4,5-f)benzofuran- 7-yl)-P,P'diphenylphosphinic amide
• Chemical name: N-(7-methyl-6-oxo-6,7-dihydro-[1,3]-dioxolo[4,5-f]benzofuran-7-yl)- P,P'diphenylphosphinic amide
• Formula: C22.75 H20 N O5.25 P
• Calculated formula: C22.75 H20 N O5.25 P
• SMILES: O1COc2cc3OC(=O)C(c3cc12)(C)NP(=O)(c1ccccc1)c1ccccc1.OC(C)C
• 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: 10.237 ± 0.001 Å
• b: 16.524 ± 0.001 Å
• c: 23.793 ± 0.002 Å
• α: 96.01 ± 0.01°
• β: 100.12 ± 0.01°
• γ: 97.69 ± 0.01°
• Cell volume: 3892.4 ± 0.6 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: 0.1095
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No