Information card for entry 7060910

Structure parameters

• Formula: C30 H19 Cl3 N2 O
• Calculated formula: C30 H19 Cl3 N2 O
• 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: 4.8515 ± 0.0002 Å
• b: 21.804 ± 0.0012 Å
• c: 11.5794 ± 0.0005 Å
• α: 90°
• β: 91.942 ± 0.004°
• γ: 90°
• Cell volume: 1224.19 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1904
• Weighted residual factors for all reflections included in the refinement: 0.2025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No