Information card for entry 7157976

Structure parameters

• Formula: C24 H19 N O
• Calculated formula: C24 H19 N O
• Title of publication: Ru(II)-Catalyzed, Cu(II)-mediated carbene migratory insertion in the synthesis of trisubstituted pyrroles from isoxazoles.
• Authors of publication: Kumar, Pravin; Keshri, Santosh Kumar; Kapur, Manmohan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 15
• Pages of publication: 3428 - 3433
• a: 14.282 ± 0.0013 Å
• b: 13.5704 ± 0.0009 Å
• c: 10.3175 ± 0.0009 Å
• α: 90°
• β: 110.86 ± 0.002°
• γ: 90°
• Cell volume: 1868.6 ± 0.3 ų
• Cell temperature: 287 ± 2 K
• Ambient diffraction temperature: 287.55 K
• Number of distinct elements: 4
• 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: 0.1752
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No