Information card for entry 7063422

Structure parameters

• Formula: C77 H80 B Cl4 N3 O S2
• Calculated formula: C77 H80 B Cl4 N3 O S2
• Title of publication: Constructing highly efficient multiple resonance fluorescence materials by inserting benzothiophene within B/N-skeletons
• Authors of publication: Zhao, He; Han, Wenkun; Xu, Jianan; Bi, Yan; Li, He; Yang, Tianyu; Ma, Xiaoyu; Su, Chunhui
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 36
• Pages of publication: 16119 - 16126
• a: 13.9094 ± 0.0014 Å
• b: 15.1975 ± 0.0014 Å
• c: 19.4579 ± 0.0016 Å
• α: 105.358 ± 0.002°
• β: 95.154 ± 0.003°
• γ: 116.471 ± 0.003°
• Cell volume: 3446 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.2218
• Weighted residual factors for all reflections included in the refinement: 0.2568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No