Information card for entry 1540743

Structure parameters

• Formula: C15 H20 N O5 P
• Calculated formula: C15 H20 N O5 P
• SMILES: P(=O)(OC)(OC)C(C(=O)C1CC1)c1c(cccc1)C(=NO)C
• Title of publication: Ir(III)-Catalyzed Synthesis of Isoquinoline N-Oxides from Aryloxime and α-Diazocarbonyl Compounds.
• Authors of publication: Phatake, Ravindra S.; Patel, Pitambar; Ramana, Chepuri V.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 2
• Pages of publication: 292 - 295
• a: 9.3895 ± 0.0005 Å
• b: 11.8119 ± 0.0006 Å
• c: 16.7592 ± 0.0008 Å
• α: 90°
• β: 119.122 ± 0.003°
• γ: 90°
• Cell volume: 1623.76 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0829
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No