Information card for entry 1540745

Structure parameters

• Formula: C15 H20 N O7 P
• Calculated formula: C15 H20 N O7 P
• SMILES: P(=O)(OC)(OC)c1c(n(=O)c(C)c2oc3ccccc3c12)C.O.O
• 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: 7.016 ± 0.004 Å
• b: 11.027 ± 0.004 Å
• c: 11.187 ± 0.004 Å
• α: 107.843 ± 0.004°
• β: 94.401 ± 0.007°
• γ: 92.67 ± 0.02°
• Cell volume: 819.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0663
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No