Information card for entry 7061041

Structure parameters

• Formula: C26 H18 N4
• Calculated formula: C26 H18 N4
• SMILES: c1(c(C#N)c(c(cc1)C#N)N)c1ccc(N(c2ccccc2)c2ccccc2)cc1
• 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: 17.0172 ± 0.0003 Å
• b: 14.7978 ± 0.0003 Å
• c: 8.29705 ± 0.00016 Å
• α: 90°
• β: 98.9384 ± 0.0018°
• γ: 90°
• Cell volume: 2063.97 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0841
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No