Information card for entry 7063649

Structure parameters

• Formula: C18 H19 N O3 S
• Calculated formula: C18 H19 N O3 S
• Title of publication: Practical synthesis of thio-cotarnine analogues
• Authors of publication: Behera, Pradyota Kumar; Pradhan, Amit Kumar; Rout, Laxmidhar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 4119 - 4123
• a: 10.9365 ± 0.0005 Å
• b: 7.9877 ± 0.0003 Å
• c: 19.0534 ± 0.0009 Å
• α: 90°
• β: 90.804 ± 0.002°
• γ: 90°
• Cell volume: 1664.29 ± 0.13 ų
• Cell temperature: 299 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No