Information card for entry 7251660

Structure parameters

• Common name: triphenylamine_aroyl-S,N-ketene_acetal
• Chemical name: (Z)-2-(3-(4-(diphenylamino)benzyl)benzo[d]thiazol-2(3H)-ylidene)-1-phenylethan-1-one
• Formula: C34 H26 N2 O S
• Calculated formula: C34 H26 N2 O S
• Title of publication: Aroyl-S,N-ketene acetal-triarylamine bichromophores – intramolecular energy transfer and dual emission upon induced aggregation and encapsulation
• Authors of publication: El Abbassi, Abdelouahad; Krenzer, Julius; Petrov, Eugene P.; Biesen, Lukas; Vasylyeva, Vera; Merzenich, Sarah; Resch-Genger, Ute; Müller, Thomas J. J.
• Journal of publication: RSC Advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 10255 - 10260
• a: 16.2565 ± 0.0001 Å
• b: 8.2382 ± 0.0001 Å
• c: 19.2818 ± 0.0001 Å
• α: 90°
• β: 90.941 ± 0.001°
• γ: 90°
• Cell volume: 2581.95 ± 0.04 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No