Information card for entry 7061977

Structure parameters

• Formula: C14 H18 N2 O2
• Calculated formula: C14 H18 N2 O2
• SMILES: o1c(nnc1OCCCCCC)c1ccccc1
• Title of publication: Electrochemically promoted annulation of aldehydes and carbazates: access to 2-alkoxy/aryloxy-5-substituted 1,3,4-oxadiazole and 1,3,4-oxadiazol-2(3H)-one derivatives
• Authors of publication: Li, Hongjun; Tang, Dong; Iqbal, Zafar; Wan, Yaya; Jiang, Rui; Yang, Zhixiang; Yang, Jinhui
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 42
• Pages of publication: 20347 - 20353
• a: 7.1933 ± 0.0004 Å
• b: 17.2296 ± 0.0012 Å
• c: 11.4006 ± 0.0006 Å
• α: 90°
• β: 106.909 ± 0.006°
• γ: 90°
• Cell volume: 1351.88 ± 0.15 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0696
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No