Information card for entry 7160575

Structure parameters

• Chemical name: 10-(p-Tolyl)naphtho[2,1-f]phenanthro[9,10-h]quinoline
• Formula: C36 H23 N
• Calculated formula: C36 H23 N
• 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: 15.2948 ± 0.0002 Å
• b: 13.819 ± 0.0001 Å
• c: 11.1339 ± 0.0001 Å
• α: 90°
• β: 93.386 ± 0.001°
• γ: 90°
• Cell volume: 2349.14 ± 0.04 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 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: 0.0577
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No