Information card for entry 7161138

Structure parameters

• Formula: C H Br Cl N O
• Calculated formula: C4.70588 H3.29412 Br0.235294 Cl0.235294 N0.470588 O0.705882
• Title of publication: Synthesis of substituted N-heterocycles <i>via</i> a cascade of Michael addition, double cyclization and air oxidation.
• Authors of publication: Phukon, Hunmoina; Porashar, Bikoshita; Pradhan, Ankita; Saikia, Anil K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 19
• Pages of publication: 4044 - 4049
• a: 9.17 ± 0.004 Å
• b: 10.005 ± 0.005 Å
• c: 20.716 ± 0.009 Å
• α: 90°
• β: 100.746 ± 0.013°
• γ: 90°
• Cell volume: 1867.3 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0369
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.725
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No