Information card for entry 7235635

Structure parameters

• Formula: C18 H15 N3 O
• Calculated formula: C18 H15 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: 8.3989 ± 0.0018 Å
• b: 12.9656 ± 0.0014 Å
• c: 13.6993 ± 0.0018 Å
• α: 90°
• β: 101.702 ± 0.016°
• γ: 90°
• Cell volume: 1460.8 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1994
• Weighted residual factors for all reflections included in the refinement: 0.21
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No