Information card for entry 7061040

Structure parameters

• Formula: C26 H24 N4 S
• Calculated formula: C26 H24 N4 S
• Title of publication: Acceptor–donor–acceptor-linked triphenylamine and phenothiazine motifs as cousin molecules: the methyl effect on stimuli-responsiveness, crystallochromism, and dual-state emission
• Authors of publication: Bhuin, Shouvik; Bhattacharya, Suman; Chakravarty, Manab
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 45
• Pages of publication: 21236 - 21247
• a: 8.9131 ± 0.0004 Å
• b: 11.8184 ± 0.0004 Å
• c: 21.8914 ± 0.0009 Å
• α: 91.003 ± 0.003°
• β: 95.825 ± 0.004°
• γ: 106.344 ± 0.004°
• Cell volume: 2198.83 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No