Information card for entry 7160596

Structure parameters

• Formula: C16 H8 N2 O4
• Calculated formula: C16 H8 N2 O4
• Title of publication: Convergent synthesis of coumarin C3-C4-fused fluorogenic quinoline scaffolds <i>via</i> aldehyde activation using <i>in situ</i> generated hydrazoic acid.
• Authors of publication: Ganesan, Ranjithkumar; Kamaraj, Sriraghavan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 27
• Pages of publication: 6564 - 6569
• a: 9.822 ± 0.003 Å
• b: 5.4227 ± 0.0016 Å
• c: 23.386 ± 0.006 Å
• α: 90°
• β: 99.596 ± 0.01°
• γ: 90°
• Cell volume: 1228.2 ± 0.6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 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: 0.0644
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No