Information card for entry 7160574

Structure parameters

• Chemical name: 6-Iodo-5-phenylphenanthro[9,10-f]quinoxaline
• Formula: C26 H15 I N2
• Calculated formula: C26 H15 I 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: 13.41874 ± 0.00011 Å
• b: 7.27707 ± 0.00005 Å
• c: 20.60254 ± 0.00015 Å
• α: 90°
• β: 104.508 ± 0.0008°
• γ: 90°
• Cell volume: 1947.67 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0268
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No