Information card for entry 7060909

Structure parameters

• Formula: C57 H39 Cl9 N4 O2
• Calculated formula: C57 H39 Cl9 N4 O2
• 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: 10.3742 ± 0.0002 Å
• b: 11.1 ± 0.0002 Å
• c: 11.2768 ± 0.0002 Å
• α: 92.4379 ± 0.0016°
• β: 94.2137 ± 0.0015°
• γ: 91.8446 ± 0.0016°
• Cell volume: 1293.07 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No