Information card for entry 7161174

Structure parameters

• Chemical name: 6-(p-Tolyl)naphtho[2,1-f]phenanthro[4,3-h]quinoxaline
• Formula: C35 H22 N2
• Calculated formula: C35 H22 N2
• 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: 13.697 ± 0.0001 Å
• b: 11.6361 ± 0.0001 Å
• c: 15.2661 ± 0.0001 Å
• α: 90°
• β: 97.95 ± 0.001°
• γ: 90°
• Cell volume: 2409.72 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0448
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No