Information card for entry 7160577

Structure parameters

• Chemical name: 9-(p-Tolyl)naphtho[2,1-a]phenanthro[9,10-c]phenazine
• Formula: C39 H24 N2
• Calculated formula: C39 H24 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: 8.9067 ± 0.0003 Å
• b: 11.7479 ± 0.0004 Å
• c: 14.91 ± 0.0005 Å
• α: 94.611 ± 0.003°
• β: 100.588 ± 0.003°
• γ: 107.817 ± 0.003°
• Cell volume: 1444.35 ± 0.09 ų
• Cell temperature: 100.01 ± 0.15 K
• Ambient diffraction temperature: 100.01 ± 0.15 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No