Information card for entry 7244890

Structure parameters

• Chemical name: BQD-AP
• Formula: C60 H63 N5 O2 Si2
• Calculated formula: C60 H63 N5 O2 Si2
• Title of publication: Benzo[de]isoquinoline-1,3-dione condensed asymmetric azaacenes as strong acceptors
• Authors of publication: Zhou, Pengxin; Deng, Lanlan; Han, Zengtao; Zhao, Xiaolong; Zhang, Zhe; Huo, Shuhui
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 13480 - 13486
• a: 15.5906 ± 0.0007 Å
• b: 23.349 ± 0.0007 Å
• c: 16.177 ± 0.0009 Å
• α: 90°
• β: 114.138 ± 0.006°
• γ: 90°
• Cell volume: 5373.9 ± 0.5 ų
• Cell temperature: 149.97 ± 0.11 K
• Ambient diffraction temperature: 149.97 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2363
• Weighted residual factors for all reflections included in the refinement: 0.2589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No