Information card for entry 1549092

Structure parameters

• Formula: C28 H34 N2 O4 S
• Calculated formula: C28 H34 N2 O3.995 S
• SMILES: S(=O)(=O)(N(Cc1cc(c2[nH]c3c(c2c1C)cccc3)C)CC(OCC)OCC)c1ccc(cc1)C
• Title of publication: Carbazole-based compounds as photoinitiators for free radical and cationic polymerization upon near visible light illumination.
• Authors of publication: Al Mousawi, Assi; Arar, Ahmad; Ibrahim-Ouali, Malika; Duval, Sylvain; Dumur, Frédéric; Garra, Patxi; Toufaily, Joumana; Hamieh, Tayssir; Graff, Bernadette; Gigmes, Didier; Fouassier, Jean-Pierre; Lalevée, Jacques
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2018
• Journal volume: 17
• Journal issue: 5
• Pages of publication: 578 - 585
• a: 10.0007 ± 0.001 Å
• b: 10.5374 ± 0.0011 Å
• c: 12.7404 ± 0.0013 Å
• α: 102.821 ± 0.004°
• β: 90.215 ± 0.004°
• γ: 102.549 ± 0.004°
• Cell volume: 1275.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.06 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No