Information card for entry 4518922

Structure parameters

• Formula: C26 H22 N4 O
• Calculated formula: C26 H22 N4 O
• SMILES: O(c1ccc(/C=N/Nc2ccccc2)cc1)c1ccc(cc1)/C=N/Nc1ccccc1
• Title of publication: Synthesis and Electrochemistry of Novel Dumbbell-Shaped Bis-pyrazolino[60]fullerene Derivatives Formed Using Microwave Radiation
• Authors of publication: BinSabt, Mohammad H.; Al-Matar, Hamad M.; Balch, Alan L.; Shalaby, Mona A.
• Journal of publication: ACS Omega
• Year of publication: 2021
• a: 5.6471 ± 0.0007 Å
• b: 9.3471 ± 0.0012 Å
• c: 20.515 ± 0.002 Å
• α: 86.434 ± 0.006°
• β: 89.453 ± 0.006°
• γ: 83.523 ± 0.006°
• Cell volume: 1073.9 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.1575
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No