Information card for entry 7161177

Structure parameters

• Chemical name: 6-(p-Tolyl)naphtho[1,2-h]phenanthro[3,4-f]quinoline
• Formula: C36 H23 N
• Calculated formula: C36 H23 N
• 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: 26.6677 ± 0.0003 Å
• b: 7.9863 ± 0.0001 Å
• c: 23.8728 ± 0.0003 Å
• α: 90°
• β: 107.139 ± 0.001°
• γ: 90°
• Cell volume: 4858.56 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1361
• 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: No
• Has Fobs: No