Information card for entry 7121592

Structure parameters

• Formula: C15 H13 N3 O
• Calculated formula: C15 H13 N3 O
• Title of publication: Synthesis of naphthyridin-2(1H)-one derivatives via ring expansion of 3-substituted-1H-pyrrolo[2,3-b]pyridin-2(3H)-one derivatives.
• Authors of publication: Croix, C.; Massip, S.; Viaud-Massuard, M-C
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 44
• Pages of publication: 5538 - 5541
• a: 12.9903 ± 0.0002 Å
• b: 7.8379 ± 0.0001 Å
• c: 13.2745 ± 0.0009 Å
• α: 90°
• β: 114.935 ± 0.008°
• γ: 90°
• Cell volume: 1225.58 ± 0.12 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No