Information card for entry 7118854

Structure parameters

• Formula: C19 H17 N O4
• Calculated formula: C19 H17 N O4
• SMILES: c1(c(C(=O)OC)[nH]cc1C(=O)OC)Cc1cccc2ccccc12
• Title of publication: Magnetically recoverable Cu(0)/Fe3O4 catalyzed highly regioselective synthesis of 2,3,4-trisubstituted pyrroles from unactivated terminal alkynes and isocyanides.
• Authors of publication: Tiwari, Dipak Kumar; Phanindrudu, Mandalaparthi; Aravilli, Vinod Kumar; Sridhar, B.; Likhar, Pravin R.; Tiwari, Dharmendra Kumar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 25
• Pages of publication: 4675 - 4678
• a: 8.9379 ± 0.0013 Å
• b: 10.7203 ± 0.0016 Å
• c: 11.0337 ± 0.0016 Å
• α: 118.687 ± 0.002°
• β: 110.073 ± 0.002°
• γ: 93.964 ± 0.002°
• Cell volume: 835.3 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.2109
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No