Information card for entry 1577123

Structure parameters

• Formula: C41.5 H33.5 B Br Cl N1.5
• Calculated formula: C40 H31 B Br N
• Title of publication: Enantioselective Synthesis of Configurationally Stable [5]helicenes Containing 1,2-Azaborine Units
• Authors of publication: Olguin, Catherine; Tabacaru, Christian; Besse, Lennart; Simon, Martin; Golz, Christopher; Humanes, Marcos; Fernandez-Rodriguez, Manuel A.; García-García, Patricia; Mücke, Maike; Mata, Ricardo A.; Alcarazo, Manuel
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 16.22 ± 0.007 Å
• b: 13.047 ± 0.005 Å
• c: 31.385 ± 0.013 Å
• α: 90°
• β: 90.805 ± 0.008°
• γ: 90°
• Cell volume: 6641 ± 5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0693
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No