Information card for entry 7161173

Structure parameters

• Chemical name: 11-(Naphthalen-1-yl)-12-(p-tolylethynyl)naphtho[2,1-f]quinoxaline
• Formula: C36 H23.5 N2.5
• Calculated formula: C36 H23.5 N2.5
• Title of publication: Azine-fused [6]carbohelicenes: synthesis, crystal structure, stereoisomerism and optical properties
• Authors of publication: Marchenko, Sergey S.; Sokha, Samita J.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Brig, Sergei S.; Prolomov, Ilya V.; Medvedev, Michael; Gulevskaya, Anna V.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2026
• a: 14.9002 ± 0.0004 Å
• b: 20.4851 ± 0.0004 Å
• c: 18.1683 ± 0.0004 Å
• α: 90°
• β: 110.072 ± 0.003°
• γ: 90°
• Cell volume: 5208.7 ± 0.2 ų
• Cell temperature: 296.4 ± 0.3 K
• Ambient diffraction temperature: 296.4 ± 0.3 K
• Number of distinct elements: 3
• 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: 0.0756
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1809
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No