Information card for entry 1576446

Structure parameters

• Chemical name: PhBPy-HC
• Formula: C43 H28 B N
• Calculated formula: C43 H28 B N
• Title of publication: B ← N Lewis pair fusion of [6]helicene: one way to integrate circularly polarized luminescence with two-photon absorption
• Authors of publication: Wang, Min; Liu, Zhi-Qiang; Zhao, Cui-Hua
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 14.347 ± 0.003 Å
• b: 14.439 ± 0.003 Å
• c: 15.615 ± 0.003 Å
• α: 105.046 ± 0.012°
• β: 92.561 ± 0.012°
• γ: 108.743 ± 0.011°
• Cell volume: 2929 ± 1.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1842
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.2226
• Weighted residual factors for all reflections included in the refinement: 0.3138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No