Information card for entry 1553562

Structure parameters

• Formula: C17 H15 N O2
• Calculated formula: C17 H15 N O2
• Title of publication: Divergent reactivity of α-azidochalcones with metal β-diketonates: tunable synthesis of substituted pyrroles and indoles
• Authors of publication: Rajaguru, Kandasamy; Mariappan, Arumugam; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 124
• a: 13.451 ± 0.004 Å
• b: 14.313 ± 0.004 Å
• c: 15.248 ± 0.004 Å
• α: 86.714 ± 0.004°
• β: 63.827 ± 0.003°
• γ: 90.014 ± 0.004°
• Cell volume: 2629.2 ± 1.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No