Information card for entry 7122637

Structure parameters

• Chemical name: unk
• Formula: C16 H12 N2 O3
• Calculated formula: C16 H12 N2 O3
• Title of publication: Metal free direct C(sp²)-H arylaminations using nitrosoarenes to 2-hydroxy-di(het)aryl amines as multifunctional Aβ-aggregation modulators.
• Authors of publication: Roy, Subhra Kanti; Tiwari, Anuj; Saleem, Mohammed; Jana, Chandan K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 100
• Pages of publication: 14081 - 14084
• a: 5.4752 ± 0.0008 Å
• b: 17.649 ± 0.002 Å
• c: 13.8907 ± 0.0017 Å
• α: 90°
• β: 94.311 ± 0.015°
• γ: 90°
• Cell volume: 1338.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1361
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.2356
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No