Information card for entry 4034327

Structure parameters

• Formula: C24 H17 N O2 S2
• Calculated formula: C24 H17 N O2 S2
• SMILES: c1ccccc1N1/C(=C/C(=O)c2ccccc2)SS/C1=C\C(=O)c1ccccc1
• Title of publication: Visible-Light-Mediated Synthesis of 1,2,4-Dithiazolidines from β-Ketothioamides through a Hydrogen-Atom-Transfer Photocatalytic Approach of Eosin Y.
• Authors of publication: Ansari, Monish A.; Yadav, Dhananjay; Soni, Sonam; Srivastava, Abhijeet; Singh, Maya Shankar
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 9
• Pages of publication: 5404 - 5412
• a: 8.3166 ± 0.0017 Å
• b: 9.658 ± 0.002 Å
• c: 13.006 ± 0.003 Å
• α: 79.557 ± 0.005°
• β: 88.171 ± 0.005°
• γ: 76.363 ± 0.005°
• Cell volume: 998.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No