Information card for entry 1576919

Structure parameters

• Formula: C87 H82 B3 Cl2 N3 O4
• Calculated formula: C87 H82 B3 Cl2 N3 O4
• Title of publication: Ladder-type π-conjugated frameworks with multi-heteroatom modulation for narrowband violet-blue multiple-resonance emitters with a low CIE _<i>y</i> of 0.03.
• Authors of publication: Wu, Jian-Rong; Yang, Yue-Jian; Yuan, Hai-Tian; Ge, Shi-Jie; Qu, Yang-Kun; Jiang, Hai-Xiao; Liu, Yin; Zhou, Dong-Ying; Liao, Liang-Sheng; Jiang, Zuo-Quan
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 5638 - 5647
• a: 13.9689 ± 0.0006 Å
• b: 19.0091 ± 0.0008 Å
• c: 14.0226 ± 0.0006 Å
• α: 90°
• β: 103.179 ± 0.003°
• γ: 90°
• Cell volume: 3625.4 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No