Information card for entry 1540599

Structure parameters

• Formula: C23 H17 N O3
• Calculated formula: C23 H17 N O3
• SMILES: c1(ccccc1)C(=O)Nc1c2c(ccc1)c(c(c1ccccc1)oc2=O)C
• Title of publication: Ruthenium(II) Catalyzed Regiospecific C-H/O-H Annulations of Directing Arenes via Weak Coordination.
• Authors of publication: Banerjee, Arghya; Santra, Sourav Kumar; Mohanta, Prakash Ranjan; Patel, Bhisma K.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 22
• Pages of publication: 5678 - 5681
• a: 7.2793 ± 0.0007 Å
• b: 12.9826 ± 0.0013 Å
• c: 18.8537 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1781.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No