Information card for entry 1573284

Structure parameters

• Formula: C27 H16 N3 O
• Calculated formula: C27 H16 N3 O
• Title of publication: π-Curved Blatter radicals: Blatter helicenes.
• Authors of publication: Singh, Hemant K.; Bodzioch, Agnieszka; Pietrzak, Anna; Kaszyński, Piotr
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 3
• Pages of publication: 496 - 499
• a: 43.189 ± 0.0005 Å
• b: 43.189 ± 0.0005 Å
• c: 5.1711 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8353.3 ± 0.5 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100.01 ± 0.11 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No