Information card for entry 4028068

Structure parameters

• Formula: C28 H30 N4 O8
• Calculated formula: C28 H30 N4 O8
• SMILES: C1c2c(/C(=N/NC(=O)c3cc(c(c(c3)OC)OC)OC)N1NC(=O)c1cc(c(c(c1)OC)OC)OC)cccc2
• Title of publication: Unexpected Formation of N-(1-(2-Aryl-hydrazono)isoindolin-2-yl)benzamides and Their Conversion into 1,2-(Bis-1,3,4-oxadiazol-2-yl)benzenes
• Authors of publication: Codruţa C. Paraschivescu; Mihaela Matache; Cristian Dobrotă; Alina Nicolescu; Cătălin Maxim; Călin Deleanu; Ileana C. Fărcăşanu; Niculina D. Hădade
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 2670 - 2679
• a: 10.2036 ± 0.0018 Å
• b: 14.265 ± 0.0015 Å
• c: 18.965 ± 0.003 Å
• α: 90°
• β: 97.125 ± 0.011°
• γ: 90°
• Cell volume: 2739.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.5608 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No