Information card for entry 1576311

Structure parameters

• Formula: C62 H52 B N O
• Calculated formula: C62 H52 B N O
• Title of publication: Orthogonal Di-Spiro Skeleton Engineering on Suppressing π-π Stacking and Spectral Broadening for High-Performance Narrowband Electroluminescence
• Authors of publication: Li, Hao-Ze; Yang, Yu-Tao; Zhao, Yi-Cheng; Xie, Feng-Ming; Tang, Jianxin; Li, Yanqing
• Journal of publication: Materials Horizons
• Year of publication: 2025
• a: 10.9994 ± 0.0004 Å
• b: 10.9593 ± 0.0004 Å
• c: 38.775 ± 0.0014 Å
• α: 90°
• β: 90.115 ± 0.006°
• γ: 90°
• Cell volume: 4674.2 ± 0.3 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2107
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No