Information card for entry 2221104

Structure parameters

• Chemical name: 2,4-Diethylthioxanthen-9-one
• Formula: C17 H16 O S
• Calculated formula: C17 H16 O S
• SMILES: CCc1cc(CC)cc2c1sc1ccccc1c2=O
• Title of publication: 2,4-Diethylthioxanthen-9-one
• Authors of publication: Liu, Ge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o613
• a: 9.5403 ± 0.0019 Å
• b: 11.083 ± 0.002 Å
• c: 13.807 ± 0.003 Å
• α: 77.19 ± 0.03°
• β: 87.72 ± 0.03°
• γ: 79.35 ± 0.03°
• Cell volume: 1399 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.1046
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes