Information card for entry 7057509

Structure parameters

• Formula: C27 H18 Br3 N3 O3
• Calculated formula: C27 H18 Br3 N3 O3
• Title of publication: Diphenylamino-substituted tristyryl vs. triphenyl isocyanurates: improved conjugation has minimal impact on two-photon absorption
• Authors of publication: Triadon, Amédée; Ngo Ndimba, Alphonsine; Richy, Nicolas; Amar, Anissa; Boucekkine, Abdou; Roisnel, Thierry; Cifuentes, Marie P.; Humphrey, Mark G.; Blanchard-Desce, Mireille; Mongin, Olivier; Paul, Frédéric
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 11289
• a: 19.931 ± 0.003 Å
• b: 6.4376 ± 0.0009 Å
• c: 21.314 ± 0.003 Å
• α: 90°
• β: 100.969 ± 0.005°
• γ: 90°
• Cell volume: 2684.8 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.1285
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No