Information card for entry 7235634

Structure parameters

• Formula: C16 H10 I N3 O
• Calculated formula: C16 H10 I 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: 13.0741 ± 0.0018 Å
• b: 4.2988 ± 0.0004 Å
• c: 24.974 ± 0.003 Å
• α: 90°
• β: 100.04 ± 0.011°
• γ: 90°
• Cell volume: 1382.1 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No