Information card for entry 7133069

Structure parameters

• Formula: C26 H32 Br2.31 I1.69 N6 O2 Zn
• Calculated formula: C26 H32 Br2.3 I1.7 N6 O2 Zn
• Title of publication: Synthesis of quinazolinone scaffolds <i>via</i> a zinc(II)-stabilized amidyl radical-promoted deaminative approach.
• Authors of publication: Manna, Subarna; Sahoo, Sangita; Rit, Arnab
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 55
• Pages of publication: 7097 - 7100
• a: 8.6011 ± 0.0003 Å
• b: 12.1473 ± 0.0004 Å
• c: 17.1881 ± 0.0006 Å
• α: 71.236 ± 0.001°
• β: 80.474 ± 0.001°
• γ: 79.466 ± 0.001°
• Cell volume: 1660.7 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No