Information card for entry 1571020

Structure parameters

• Formula: C94 H170 B6 O16
• Calculated formula: C94 H170 B6 O16
• 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: 11.5184 ± 0.0006 Å
• b: 14.6526 ± 0.0007 Å
• c: 16.148 ± 0.0009 Å
• α: 97.73 ± 0.003°
• β: 108.931 ± 0.002°
• γ: 98.573 ± 0.003°
• Cell volume: 2500 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1854
• Weighted residual factors for all reflections included in the refinement: 0.2003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No