Information card for entry 7235637

Structure parameters

• Formula: C17 H13 N3 O
• Calculated formula: C17 H13 N3 O
• Title of publication: NIS-mediated regioselective amidation of indole with quinazolinone and pyrimidone
• Authors of publication: Ghosh, Suman Kr; Nagarajan, Rajagopal
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 39
• Pages of publication: 20136
• a: 10.83 ± 0.003 Å
• b: 12.205 ± 0.003 Å
• c: 12.209 ± 0.003 Å
• α: 102.677 ± 0.004°
• β: 106.686 ± 0.004°
• γ: 110.923 ± 0.004°
• Cell volume: 1347.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0551
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No