Information card for entry 7160219

Structure parameters

• Formula: C33 H24 F4 N2 O2
• Calculated formula: C33 H24 F4 N2 O2
• Title of publication: Pd-catalyzed <i>ortho</i>-/<i>meta</i>-C-H-annulation of biphenyl amines with enynes through non-rollover cyclometallation.
• Authors of publication: Suri Babu, Undamatla; Naveen Kumar, Muniganti; Mahesh, Shivunapuram; Nanubolu, Jagadeesh Babu; Sridhar Reddy, Maddi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 2
• Pages of publication: 292 - 296
• a: 10.94 ± 0.005 Å
• b: 16.898 ± 0.008 Å
• c: 14.59 ± 0.008 Å
• α: 90°
• β: 104.697 ± 0.014°
• γ: 90°
• Cell volume: 2609 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1408
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No