Information card for entry 1507571

Structure parameters

• Common name: 11275a
• Formula: C18 H24 N O5 P
• Calculated formula: C18 H24 N O5 P
• SMILES: N(C(=C\C(=O)C(C)C)/C(=O)c1ccccc1)P1(=O)OCC(CO1)(C)C
• Title of publication: Carbocyclization Cascades of Allyl Ketenimines via Aza-Claisen Rearrangements of N-Phosphoryl-N-allyl-ynamides.
• Authors of publication: Dekorver, Kyle A.; Wang, Xiao-Na; Walton, Mary C.; Hsung, Richard P.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 1768 - 1771
• a: 10.8692 ± 0.0015 Å
• b: 5.7913 ± 0.0008 Å
• c: 29.339 ± 0.004 Å
• α: 90°
• β: 93.771 ± 0.002°
• γ: 90°
• Cell volume: 1842.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No