Information card for entry 7161176

Structure parameters

• Chemical name: 17-(p-Tolyl)naphtho[2,1-f]phenanthro[4,3-h]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: 7.558 ± 0.0001 Å
• b: 27.3194 ± 0.0003 Å
• c: 11.5192 ± 0.0001 Å
• α: 90°
• β: 96.026 ± 0.001°
• γ: 90°
• Cell volume: 2365.34 ± 0.05 ų
• Cell temperature: 99.8 ± 0.3 K
• Ambient diffraction temperature: 99.8 ± 0.3 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No