Information card for entry 1571023

Structure parameters

• Formula: C20 H33 B N2 O2
• Calculated formula: C20 H33 B N2 O2
• SMILES: O([B]([n]1ccc(N(C)C)cc1)(C1CCCCC1)C1CCCCC1)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: 12.5923 ± 0.0008 Å
• b: 10.8437 ± 0.0006 Å
• c: 14.9151 ± 0.0008 Å
• α: 90°
• β: 90.37 ± 0.005°
• γ: 90°
• Cell volume: 2036.6 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No