Information card for entry 7124942

Structure parameters

• Formula: C28 H27 B F4 N4
• Calculated formula: C28 H27 B F4 N4
• Title of publication: Total synthesis of dehaloperophoramidine using a highly diastereoselective Hosomi-Sakurai reaction.
• Authors of publication: Wilkie, Ross P.; Neal, Andrew R.; Johnston, Craig A.; Voute, Nicholas; Lancefield, Christopher S.; Stell, Matthew D.; Medda, Federico; Makiyi, Edward F.; Turner, Emma M.; Stephen Ojo, O.; Slawin, Alexandra M. Z.; Lebl, Tomas; Mullen, Peter; Harrison, David J.; Ireland, Chris M.; Westwood, Nicholas J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 71
• Pages of publication: 10747 - 10750
• a: 6.691 ± 0.005 Å
• b: 29.96 ± 0.02 Å
• c: 12.952 ± 0.012 Å
• α: 90°
• β: 104.2 ± 0.02°
• γ: 90°
• Cell volume: 2517 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.2607
• Residual factor for significantly intense reflections: 0.1742
• Weighted residual factors for significantly intense reflections: 0.4114
• Weighted residual factors for all reflections included in the refinement: 0.4607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.382
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No