Information card for entry 7133199

Structure parameters

• Chemical name: sidharth
• Formula: C46 H41 N2 O8 S2
• Calculated formula: C46 H41 N2 O8 S2
• Title of publication: Electrochemically-Driven Difunctionalization of Isocyanide and Mumm Rearrangement Cascade: Expeditious Synthesis of N-acyl-N-alkyl S-thiocarbamates.
• Authors of publication: Bhati, Kuldeep Singh; Sharma, Siddharth
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 10.581 ± 0.003 Å
• b: 10.781 ± 0.003 Å
• c: 20.524 ± 0.006 Å
• α: 88.303 ± 0.009°
• β: 85.635 ± 0.009°
• γ: 63.604 ± 0.008°
• Cell volume: 2091.1 ± 1 ų
• Cell temperature: 197 K
• Ambient diffraction temperature: 197 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: 0.0777
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.2189
• Weighted residual factors for all reflections included in the refinement: 0.2217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No