Information card for entry 1570703

Structure parameters

• Formula: C88 H64 B N3 O4
• Calculated formula: C88 H64 B N3 O4
• Title of publication: A highly fluorescent bora[6]helicene exhibiting circularly polarized light emission.
• Authors of publication: Schnitzlein, Matthias; Shoyama, Kazutaka; Würthner, Frank
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 2984 - 2989
• a: 26.86 ± 0.02 Å
• b: 14.399 ± 0.015 Å
• c: 16.935 ± 0.017 Å
• α: 90°
• β: 106.99 ± 0.11°
• γ: 90°
• Cell volume: 6264 ± 11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3558
• Residual factor for significantly intense reflections: 0.1427
• Weighted residual factors for significantly intense reflections: 0.3528
• Weighted residual factors for all reflections included in the refinement: 0.4546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.6199 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No