Information card for entry 1574574

Structure parameters

• Formula: C32 H26 N6
• Calculated formula: C32 H26 N6
• SMILES: C(=C(\c1cn(Cc2ccccc2)nn1)c1ccccc1)(c1cn(Cc2ccccc2)nn1)\c1ccccc1
• Title of publication: Stereoselective synthesis of heterocyclic tetraphenylethylene analogues with configuration-dependent solid-state luminescence
• Authors of publication: Seinfeld, Mathilde; Rouillon, Jean; Rullan, Raphael; Jeanneau, Erwann; Steinmann, Stephan N.; Andraud, Chantal; Le Bahers, Tangui; Monnereau, Cyrille
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 10523 - 10531
• a: 9.0736 ± 0.0012 Å
• b: 14.8909 ± 0.0018 Å
• c: 19.28 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2605 ± 0.5 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.2028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No