Information card for entry 1570196

Structure parameters

• Formula: C38.5 H33 B2 Cl N4
• Calculated formula: C38.5 H33 B2 Cl N4
• Title of publication: Boosting quantum yields and circularly polarized luminescence of penta- and hexahelicenes by doping with two BN-groups.
• Authors of publication: Appiarius, Yannik; Míguez-Lago, Sandra; Puylaert, Pim; Wolf, Noah; Kumar, Sourabh; Molkenthin, Martin; Miguel, Delia; Neudecker, Tim; Juríček, Michal; Campaña, Araceli G; Staubitz, Anne
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 466 - 476
• a: 13.0913 ± 0.0014 Å
• b: 14.9897 ± 0.0016 Å
• c: 19.698 ± 0.002 Å
• α: 86.55 ± 0.004°
• β: 86.961 ± 0.004°
• γ: 69.776 ± 0.004°
• Cell volume: 3618.4 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No