Information card for entry 1571022

Structure parameters

• Formula: C16 H25 B N2 O2
• Calculated formula: C16 H25 B N2 O2
• SMILES: O([B]1([n]2ccc(N(C)C)cc2)C2CCCC1CCC2)C=O
• Title of publication: Formoxyboranes as hydroborane surrogates for the catalytic reduction of carbonyls through transfer hydroboration
• Authors of publication: Durin, Gabriel; Romero, R. Martin; Godou, Timothé; Chauvier, Clément; Thuéry, Pierre; Nicolas, Emmanuel; Cantat, Thibault
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 1848 - 1853
• a: 9.8725 ± 0.0005 Å
• b: 7.3758 ± 0.0004 Å
• c: 21.882 ± 0.0012 Å
• α: 90°
• β: 98.551 ± 0.003°
• γ: 90°
• Cell volume: 1575.68 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0446
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No