Information card for entry 7127139

Structure parameters

• Formula: C25 H18 N2 O
• Calculated formula: C25 H18 N2 O
• SMILES: C(c1ccc2c(c3c(cccn3)cc2)n1)(c1ccccc1)(c1ccccc1)O
• Title of publication: Atom economical coupling of benzophenone and N-heterocyclic aromatics with SmI₂.
• Authors of publication: Jaoul, Arnaud; Yang, Yan; Casaretto, Nicolas; Clavaguéra, Carine; Maron, Laurent; Nocton, Grégory
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 79
• Pages of publication: 11875 - 11878
• a: 17.8482 ± 0.001 Å
• b: 18.0365 ± 0.001 Å
• c: 12.5808 ± 0.0007 Å
• α: 90°
• β: 117.094 ± 0.002°
• γ: 90°
• Cell volume: 3605.6 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No