Information card for entry 1577124

Structure parameters

• Formula: C41 H32 B Cl N2
• Calculated formula: C41 H32 B Cl N2
• 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: 8.3058 ± 0.001 Å
• b: 12.2298 ± 0.001 Å
• c: 31.682 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3218.2 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No