Information card for entry 2006913

Structure parameters

• Formula: C22 H19 N O S
• Calculated formula: C22 H19 N O S
• SMILES: S=C(N(c1ccccc1)C(=O)CCc1ccccc1)c1ccccc1
• Title of publication: Photocleavage Reactions of Monothioimides
• Authors of publication: Fu, Tai Y.; Scheffer, John R.; Trotter, James
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 103 - 107
• a: 8.022 ± 0.004 Å
• b: 38.685 ± 0.004 Å
• c: 5.847 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1814.5 ± 1.3 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.71
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No