Information card for entry 7133317

Structure parameters

• Formula: C53 H28 Cl2 N2 O4
• Calculated formula: C53 H28 Cl2 N2 O4
• Title of publication: Synthesis and resolution of multi-chiral carbonyl-N embedded hetero[7]helicenes for efficient circularly polarized luminescence.
• Authors of publication: Wang, Yuxiang; Liao, Qi; Feng, Yabin; Wang, Yiran; Li, Yunzhi; Meng, Qi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 63
• Pages of publication: 8292 - 8295
• a: 8.1505 ± 0.0005 Å
• b: 11.3913 ± 0.0008 Å
• c: 20.8223 ± 0.0013 Å
• α: 90°
• β: 92.329 ± 0.002°
• γ: 90°
• Cell volume: 1931.6 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No