Information card for entry 1577120

Structure parameters

• Formula: C31 H22 B N
• Calculated formula: C31 H22 B 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: 20.0698 ± 0.0009 Å
• b: 20.0698 ± 0.0009 Å
• c: 9.2934 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3241.8 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 171
• Hermann-Mauguin space group symbol: P 62
• Hall space group symbol: P 62
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No