Information card for entry 7208148

Structure parameters

• Formula: C26 H23 N4 O2
• Calculated formula: C26 H23 N4 O2
• SMILES: O=[N]1C(C(N(=O)=C1c1cnn(c2c3ccc4c5c3c(ccc5ccc4)cc2)c1)(C)C)(C)C
• Title of publication: Tuning the sensitivity of fluorophore‒nitroxide radicals
• Authors of publication: Borozdina, Yulia B.; Kamm, Valentin; Laquai, Frédéric; Baumgarten, Martin
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 26
• Pages of publication: 13260
• a: 7.4598 ± 0.0002 Å
• b: 29.3972 ± 0.0009 Å
• c: 10.0132 ± 0.0003 Å
• α: 90°
• β: 109.821 ± 0.0016°
• γ: 90°
• Cell volume: 2065.78 ± 0.11 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No