Information card for entry 2006916

Structure parameters

• Formula: C23 H21 N O2 S
• Calculated formula: C23 H21 N O2 S
• SMILES: S=C(N(c1ccccc1)C(=O)CCc1ccccc1)c1ccc(OC)cc1
• 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: 26.345 ± 0.006 Å
• b: 24.531 ± 0.007 Å
• c: 6.073 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3925 ± 7 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No