Information card for entry 7244891

Structure parameters

• Chemical name: BQD-TZ
• Formula: C48 H59 N5 O2 S Si2
• Calculated formula: C48 H59 N5 O2 S 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: 8.057 ± 0.0002 Å
• b: 17.2302 ± 0.0004 Å
• c: 17.433 ± 0.0003 Å
• α: 102.994 ± 0.002°
• β: 99.015 ± 0.002°
• γ: 100.35 ± 0.002°
• Cell volume: 2270.21 ± 0.09 ų
• Cell temperature: 149.99 ± 0.11 K
• Ambient diffraction temperature: 149.99 ± 0.11 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No