Information card for entry 1513381

Structure parameters

• Formula: C18 H13 N O
• Calculated formula: C18 H13 N O
• SMILES: N1(OC1c1ccc2ccc3cccc4ccc1c2c34)C
• Title of publication: UV‒Vis Monitoring of Radical Polymerizations by Spin Trapping with Chromophoric Nitrones
• Authors of publication: Husmann, Ralph; Wertz, Sebastian; Daniliuc, Constantin G.; Schäfer, Sascha W.; McArdle, Ciarán B.; Studer, Armido
• Journal of publication: Macromolecules
• Year of publication: 2014
• Journal volume: 47
• Journal issue: 3
• Pages of publication: 993
• a: 9.8789 ± 0.0008 Å
• b: 12.107 ± 0.0007 Å
• c: 23.0938 ± 0.0006 Å
• α: 104.855 ± 0.003°
• β: 98.818 ± 0.003°
• γ: 90.34 ± 0.006°
• Cell volume: 2635.3 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No