Information card for entry 7159103

Structure parameters

• Formula: C20 H15 N3 O2
• Calculated formula: C20 H15 N3 O2
• SMILES: c1cc2c(cc1)n1c(c3cc(ccc3c3c1C(=O)N(C3=O)CC)C)n2
• Title of publication: Rhodium(III)-catalyzed oxidative annulation of <i>N</i>-arylbenzamidines with maleimides <i>via</i> dual C-H activation.
• Authors of publication: Sankaram, G. Siva; Sahoo, Tanmoy; Sridhar, B.; Subba Reddy, B. V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 8
• Pages of publication: 1719 - 1724
• a: 7.6673 ± 0.0018 Å
• b: 10.263 ± 0.002 Å
• c: 20.044 ± 0.004 Å
• α: 90°
• β: 95.911 ± 0.005°
• γ: 90°
• Cell volume: 1568.9 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0786
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No