Information card for entry 7060908

Structure parameters

• Formula: C25 H16 N2 O
• Calculated formula: C25 H16 N2 O
• SMILES: O=C(NC(C#N)c1ccc2ccc3cccc4ccc1c2c34)c1ccccc1
• Title of publication: Studies of cyanomethylcarbamoyl-bridged anthracene and pyrene fluorophores
• Authors of publication: Younes, Eyad A.; Issa, Maram J.; Abdollahi, Maryam F.; Ding, Yuan-Fu; Rasras, Anas J.; Mok, Greta S. P.; Lin, Jian-Bin; Zhao, Yuming
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 37
• Pages of publication: 17366 - 17376
• a: 10.045 ± 0.0001 Å
• b: 20.4122 ± 0.0002 Å
• c: 17.876 ± 0.0002 Å
• α: 90°
• β: 103.348 ± 0.001°
• γ: 90°
• Cell volume: 3566.29 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.1918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No