Information card for entry 1552837

Structure parameters

• Formula: C26 H17 N
• Calculated formula: C26 H17 N
• SMILES: c12ccc3ccc4ccc5ccc6ccccc6c5c4c3c1ccc(C)n2
• Title of publication: Visible Light Chiral Photoinitiator for Radical Polymerization and Synthesis of Polymeric Films with Strong Chiroptical Activity
• Authors of publication: Al Mousawi, Assi; Schmitt, Michael; Dumur, Frederic; Ouyang, Jiangkun; Favereau, Ludovic; Dorcet, Vincent; Vanthuyne, Nicolas; Garra, Patxi; Toufaily, Joumana; Hamieh, Tayssir; Graff, Bernadette; Fouassier, Jean Pierre; Gigmes, Didier; Crassous, Jeanne; Lalevée, Jacques
• Journal of publication: Macromolecules
• Year of publication: 2018
• Journal volume: 51
• Journal issue: 15
• Pages of publication: 5628
• a: 10.3766 ± 0.0016 Å
• b: 19.563 ± 0.004 Å
• c: 8.672 ± 0.0018 Å
• α: 90°
• β: 89.869 ± 0.007°
• γ: 90°
• Cell volume: 1760.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.1377
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No