Information card for entry 7232300

Structure parameters

• Formula: C14 H9 F N2 O
• Calculated formula: C14 H9 F N2 O
• Title of publication: Sustainable methine sources for the synthesis of heterocycles under metal- and peroxide-free conditions
• Authors of publication: Senadi, Gopal Chandru; Kudale, Vishal Suresh; Wang, Jeh-Jeng
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 5
• Pages of publication: 979
• a: 12.4895 ± 0.0009 Å
• b: 7.7667 ± 0.0005 Å
• c: 11.5802 ± 0.0006 Å
• α: 90°
• β: 96.718 ± 0.006°
• γ: 90°
• Cell volume: 1115.59 ± 0.12 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No