Information card for entry 7220579

Structure parameters

• Formula: C11 H8 N4 O3
• Calculated formula: C11 H8 N4 O3
• SMILES: O=n1onc(c1C)c1noc(n1)c1ccccc1
• Title of publication: Efficient assembly of mono- and bis(1,2,4-oxadiazol-3-yl)furoxan scaffolds via tandem reactions of furoxanylamidoximes
• Authors of publication: Fershtat, Leonid L.; Ananyev, Ivan V.; Makhova, Nina N.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 58
• Pages of publication: 47248
• a: 6.574 ± 0.0013 Å
• b: 22.414 ± 0.005 Å
• c: 7.9769 ± 0.0016 Å
• α: 90°
• β: 113.126 ± 0.004°
• γ: 90°
• Cell volume: 1080.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1135
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No