Information card for entry 1570192

Structure parameters

• Formula: C40 H34
• Calculated formula: C40 H34
• SMILES: c1c(c(c2cc3c4c(ccc5c4c4cc(c6c(cc(cc6C)C)C)ccc4cc5)ccc3cc2)c(cc1C)C)C
• 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: 12.554 ± 0.005 Å
• b: 14.479 ± 0.004 Å
• c: 15.943 ± 0.006 Å
• α: 90°
• β: 105.032 ± 0.014°
• γ: 90°
• Cell volume: 2798.8 ± 1.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No