Information card for entry 7062355

Structure parameters

• Formula: C23 H15 Br N2
• Calculated formula: C23 H15 Br N2
• SMILES: Brc1ccc(/C=N/C(c2c3ccccc3cc3ccccc23)C#N)cc1
• 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: 45.2994 ± 0.0006 Å
• b: 6.0855 ± 0.0001 Å
• c: 12.8728 ± 0.0002 Å
• α: 90°
• β: 92.735 ± 0.001°
• γ: 90°
• Cell volume: 3544.6 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No