Information card for entry 7060488

Structure parameters

• Formula: C27 H17 N Se
• Calculated formula: C27 H17 N Se
• Title of publication: Selanyl and tellanyl electrophiles as a driving force in the construction of sophisticated polyaromatic hydrocarbons
• Authors of publication: Arsenyan, Pavel; Petrenko, Alla; Belyakov, Sergey
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 7247 - 7255
• a: 15.83567 ± 0.00008 Å
• b: 15.85744 ± 0.00008 Å
• c: 7.877 ± 0.00003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1978.02 ± 0.016 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No