Information card for entry 7134068

Structure parameters

• Formula: C17 H14 N2 O3
• Calculated formula: C17 H14 N2 O3
• Title of publication: Integrating C-H activation/2-fold annulation: a modular access to heteroaryl-tethered oxazoloisoquinolinones
• Authors of publication: Basak, Shubhajit; Paul, Tripti; Nanjegowda , Maniya V; Punniyamurthy, Tharmalingam
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 8.7677 ± 0.0007 Å
• b: 9.1717 ± 0.0008 Å
• c: 10.1712 ± 0.0009 Å
• α: 64.119 ± 0.002°
• β: 76.342 ± 0.002°
• γ: 77.008 ± 0.002°
• Cell volume: 708.1 ± 0.11 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No