Information card for entry 7244963

Structure parameters

• Formula: C17 H20 O2 S
• Calculated formula: C17 H20 O2 S
• Title of publication: Electrochemical cascade synthesis of α-thio-substituted masked aldehydes
• Authors of publication: Sharma, Deepak; Hussain, Yaseen; Sharma, Manisha; Chauhan, Pankaj
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 12
• Pages of publication: 4783 - 4788
• a: 5.64 ± 0.02 Å
• b: 23.42 ± 0.1 Å
• c: 24.97 ± 0.09 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3298 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No