Information card for entry 7128743

Structure parameters

• Formula: C22 H16 N2 S
• Calculated formula: C22 H16 N2 S
• SMILES: S1c2ccccc2N(c2c3ccccc3ccc2N)c2ccccc12
• Title of publication: Electrochemical phenothiazination of naphthylamines and its application in photocatalysis.
• Authors of publication: Chen, Song; Li, Ya-Nan; Xiang, Shao-Hua; Li, Shaoyu; Tan, Bin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 68
• Pages of publication: 8512 - 8515
• a: 12.1982 ± 0.0016 Å
• b: 8.3863 ± 0.0011 Å
• c: 17.209 ± 0.002 Å
• α: 90°
• β: 107.749 ± 0.005°
• γ: 90°
• Cell volume: 1676.6 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• 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: 0.0359
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No