Information card for entry 1573794

Structure parameters

• Formula: C80 H55.93 B2 Br0.07 N2 O0
• Calculated formula: C80 H55.931 B2 Br0.069 N2
• Title of publication: Synthesis of highly fluorescent helical quinolizinium salts by a Rh-catalyzed cyclotrimerization/C-H activation sequence.
• Authors of publication: Cadart, Timothée; Feriancová, Lucia; Henke, Petr; Gyepes, Robert; Císařová, Ivana; Kalíková, Květa; Kotora, Martin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 24
• Pages of publication: 4662 - 4665
• a: 25.5585 ± 0.0007 Å
• b: 9.9428 ± 0.0003 Å
• c: 24.0807 ± 0.0007 Å
• α: 90°
• β: 91.408 ± 0.002°
• γ: 90°
• Cell volume: 6117.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.1064
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No