Information card for entry 1570773

Structure parameters

• Formula: C32 H13 B F15 N O
• Calculated formula: C32 H13 B F15 N O
• Title of publication: An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C₆F₅)₃.
• Authors of publication: Guerzoni, Michael G.; van Ingen, Yara; Babaahmadi, Rasool; Wirth, Thomas; Richards, Emma; Melen, Rebecca L.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 2648 - 2654
• a: 18.4252 ± 0.0005 Å
• b: 8.0582 ± 0.0003 Å
• c: 20.1712 ± 0.0006 Å
• α: 90°
• β: 107.799 ± 0.003°
• γ: 90°
• Cell volume: 2851.55 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0626
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No