Information card for entry 7233215

Structure parameters

• Formula: C23 H20 N4 O4
• Calculated formula: C23 H20 N4 O4
• SMILES: [nH]1c2n(cccc2)c(c1=O)c1nc2n(c1/C=C/C(=O)c1ccccc1)cccc2.O.O
• Title of publication: Stacking-induced broadband near-infrared absorption beyond 2500 nm and deep-red phosphorescence from purely organic radicals
• Authors of publication: Guo-Ping Yong; Yu-Mei Zhao; Ya Feng; Xue-Rui Zhang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 3395 - 3398
• a: 8.029 ± 0.0003 Å
• b: 18.9754 ± 0.0009 Å
• c: 13.3607 ± 0.0005 Å
• α: 90°
• β: 106.218 ± 0.004°
• γ: 90°
• Cell volume: 1954.55 ± 0.14 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0992
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.2162
• Weighted residual factors for all reflections included in the refinement: 0.2295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No