Information card for entry 7109622

Structure parameters

• Formula: C37 H26 N2 O S
• Calculated formula: C37 H26 N2 O S
• SMILES: S1c2ccc(N(c3ccccc3)c3ccccc3)cc2C(=O)c2c1ccc(N(c1ccccc1)c1ccccc1)c2
• Title of publication: Highly sensitive determination of low-level water content in organic solvents using novel solvatochromic dyes based on thioxanthone
• Authors of publication: Li Ding; Zhiyun Zhang; Xin Li; Jianhua Su
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7319
• a: 8.8384 ± 0.0014 Å
• b: 18.101 ± 0.003 Å
• c: 17.418 ± 0.003 Å
• α: 90°
• β: 92.577 ± 0.004°
• γ: 90°
• Cell volume: 2783.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1388
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.269
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No