Information card for entry 1577121

Structure parameters

• Formula: C31 H19 B F3 N
• Calculated formula: C31 H19 B F3 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: 21.3134 ± 0.001 Å
• b: 14.1947 ± 0.0006 Å
• c: 7.4674 ± 0.0003 Å
• α: 90°
• β: 94.591 ± 0.002°
• γ: 90°
• Cell volume: 2251.92 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0505
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No