Information card for entry 7224694

Structure parameters

• Formula: C24 H17 N3 O3
• Calculated formula: C24 H17 N3 O3
• SMILES: O=n1onc(c1c1nc2c(c3c1CCCC3)C(=O)c1ccccc21)c1ccccc1
• Title of publication: Design of hybrid heterocyclic systems with furoxanylpyridine core via tandem hetero-Diels‒Alder/retro-Diels‒Alder reactions of (1,2,4-triazin-3-yl)furoxans
• Authors of publication: Fershtat, Leonid; Larin, Alexander; Epishina, Margarita; Ovchinnikov, Igor; Kulikov, Alexander; Ananyev, Ivan V.; Makhova, Nina
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 7.3636 ± 0.0001 Å
• b: 11.5643 ± 0.0002 Å
• c: 12.4114 ± 0.0002 Å
• α: 63.403 ± 0.001°
• β: 86.766 ± 0.001°
• γ: 78.916 ± 0.001°
• Cell volume: 926.89 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0348
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No