Information card for entry 7232299

Structure parameters

• Formula: C14 H10 N2 O
• Calculated formula: C14 H10 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: 12.1056 ± 0.0008 Å
• b: 7.802 ± 0.0005 Å
• c: 11.6256 ± 0.0006 Å
• α: 90°
• β: 97.574 ± 0.005°
• γ: 90°
• Cell volume: 1088.43 ± 0.12 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• 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: 0.0957
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No