Information card for entry 7208147

Structure parameters

• Formula: C26 H23 N4 O
• Calculated formula: C26 H23 N4 O
• SMILES: c12c3cccc1ccc1c2c(cc3)ccc1n1cc(cn1)C1[N](C(C(C)(C)N=1)(C)C)=O
• 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: 7.3261 ± 0.0002 Å
• b: 29.785 ± 0.0009 Å
• c: 9.8773 ± 0.0003 Å
• α: 90°
• β: 109.281 ± 0.0016°
• γ: 90°
• Cell volume: 2034.41 ± 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: 0.0968
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No