Information card for entry 7237048

Structure parameters

• Chemical name: 4-(Naphthalen-2-yl)benzo[c][1,2,5]thiadiazole
• Formula: C16 H10 N2 S
• Calculated formula: C16 H10 N2 S
• Title of publication: Effective modulation of the photoluminescence properties of 2,1,3-benzothiadiazoles and 2,1,3-benzoselenadiazoles by Pd-catalyzed C‒H bond arylations
• Authors of publication: Idris, Imane; Tannoux, Thibault; Derridj, Fazia; Dorcet, Vincent; Boixel, Julien; Guerchais, Veronique; Soulé, Jean-François; Doucet, Henri
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 1731
• a: 48.765 ± 0.005 Å
• b: 7.4625 ± 0.0008 Å
• c: 7.0053 ± 0.0007 Å
• α: 90°
• β: 96.573 ± 0.004°
• γ: 90°
• Cell volume: 2532.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No