Information card for entry 4035149

Structure parameters

• Formula: C14 H10 N O
• Calculated formula: C14 H10 N O
• Title of publication: Accessing Heterobiaryls through Transition-Metal-Free C-H Functionalization.
• Authors of publication: Banik, Ananya; Paira, Rupankar; Shaw, Bikash Kumar; Vijaykumar, Gonela; Mandal, Swadhin K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 6
• Pages of publication: 3236 - 3244
• a: 16.181 ± 0.006 Å
• b: 4.436 ± 0.0011 Å
• c: 15.689 ± 0.004 Å
• α: 90°
• β: 110.85 ± 0.03°
• γ: 90°
• Cell volume: 1052.4 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1802
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2296
• Weighted residual factors for all reflections included in the refinement: 0.3376
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7747
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No