Information card for entry 7062356

Structure parameters

• Formula: C31 H20 N2
• Calculated formula: C31 H20 N2
• SMILES: N#C[C@@H](/N=C/c1c2ccccc2cc2ccccc12)c1c2ccccc2cc2ccccc12
• Title of publication: N-Cyanomethylmethanimine tethered anthracene dimer: concise synthesis, conformational properties and photoinduced configurational isomerization
• Authors of publication: Younes, Eyad A.; Aljaar, Nayyef; Abdollahi, Maryam F.; Shtaiwi, Majed; Issa, Maram J.; Zhao, Yuming
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 14
• Pages of publication: 6708 - 6720
• a: 5.181 ± 0.0001 Å
• b: 9.6048 ± 0.0002 Å
• c: 11.9887 ± 0.0003 Å
• α: 67.824 ± 0.002°
• β: 85.664 ± 0.002°
• γ: 78.436 ± 0.002°
• Cell volume: 541.24 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No