Information card for entry 7160576

Structure parameters

• Chemical name: 10-(p-Tolyl)naphtho[2,1-f]phenanthro[9,10-h]quinoxaline
• Formula: C35 H22 N2
• Calculated formula: C35 H22 N2
• Title of publication: Double aza[4,5]helicenes with a common naphthalene core: synthesis, crystal structure and optical properties.
• Authors of publication: Sokha, Samita J.; Marchenko, Sergey S.; Demidov, Oleg P.; Chernyshev, Anatoly V.; Metelitsa, Anatoly V.; Gulevskaya, Anna V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 25
• Pages of publication: 6162 - 6169
• a: 15.3608 ± 0.0002 Å
• b: 13.6967 ± 0.0001 Å
• c: 11.1042 ± 0.0001 Å
• α: 90°
• β: 93.796 ± 0.001°
• γ: 90°
• Cell volume: 2331.11 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0549
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No