Information card for entry 4033811

Structure parameters

• Chemical name: DMP
• Formula: C20 H18 N O4 P
• Calculated formula: C20 H18 N O4 P
• SMILES: P(=O)(OC)(OC)C1OC(=C\c2ccccc2)/c2nc3ccccc3cc12
• Title of publication: Cu(I)-Catalyzed Oxygen and Nitrogen Nucleophiles Triggered Regioselective Synthesis of Furo/Pyrrolo-Annulated Quinolines.
• Authors of publication: Kumar, Ritush; Chandra, Atish; Mir, Bilal Ahmad; Shukla, Gaurav
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 17
• Pages of publication: 10710 - 10723
• a: 6.298 ± 0.003 Å
• b: 19.536 ± 0.01 Å
• c: 14.791 ± 0.008 Å
• α: 90°
• β: 97.6 ± 0.006°
• γ: 90°
• Cell volume: 1803.9 ± 1.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.1934
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1968
• Weighted residual factors for all reflections included in the refinement: 0.2468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No