Information card for entry 1570193

Structure parameters

• Formula: C44 H36
• Calculated formula: C44 H36
• SMILES: c1c2c(ccc1c1c(cc(cc1C)C)C)ccc1c2c2c3c4cc(c5c(cc(cc5C)C)C)ccc4ccc3ccc2cc1
• 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: 29.1349 ± 0.0009 Å
• b: 13.8389 ± 0.0005 Å
• c: 14.8881 ± 0.0006 Å
• α: 90°
• β: 92.953 ± 0.001°
• γ: 90°
• Cell volume: 5994.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No