Information card for entry 1577125

Structure parameters

• Formula: C40 H31 B Br N
• 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: 8.4889 ± 0.0005 Å
• b: 13.7216 ± 0.0008 Å
• c: 14.3661 ± 0.0009 Å
• α: 116.387 ± 0.002°
• β: 94.687 ± 0.002°
• γ: 97.658 ± 0.002°
• Cell volume: 1466.83 ± 0.16 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: 0.038
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0477
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No