Information card for entry 1573544

Structure parameters

• Formula: C11 H21 B O3 S
• Calculated formula: C11 H21 B O3 S
• SMILES: S(=[O][B]1(OC=O)C2CCCC1CCC2)(C)C
• Title of publication: DMSO-catalyzed CO2 reduction with 9-BBN: selective formation of either formoxy- or methoxyborane under mild conditions and C-methylenation of indoles
• Authors of publication: Kumar, Ashok; Gupta, Rohit; Subramaniyan, Vasudevan; Mani, Ganesan
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 678 - 688
• a: 13.0315 ± 0.0018 Å
• b: 6.515 ± 0.0009 Å
• c: 15.334 ± 0.0019 Å
• α: 90°
• β: 98.689 ± 0.004°
• γ: 90°
• Cell volume: 1286.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No