Information card for entry 4129212

Structure parameters

• Formula: C92 H124 N20 O4
• Calculated formula: C92 H109 N20 O4
• Title of publication: Amphiprotism-Coupled Near-Infrared Emission in Extended Pyrazinacenes Containing Seven Linearly Fused Pyrazine Units.
• Authors of publication: Richards, Gary J.; Cador, Aël; Yamada, Shinji; Middleton, Anna; Webre, Whitney A.; Labuta, Jan; Karr, Paul A.; Ariga, Katsuhiko; D'Souza, Francis; Kahlal, Samia; Halet, Jean-François; Hill, Jonathan P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 9.6518 ± 0.0004 Å
• b: 11.5771 ± 0.0004 Å
• c: 23.0833 ± 0.0011 Å
• α: 78.419 ± 0.002°
• β: 87.129 ± 0.002°
• γ: 62.511 ± 0.0018°
• Cell volume: 2238.84 ± 0.17 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2249
• Residual factor for significantly intense reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.2258
• Weighted residual factors for all reflections included in the refinement: 0.2922
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No