Information card for entry 7157222

Structure parameters

• Formula: C19 H14 F5 Fe N O S
• Calculated formula: C19 H14 F5 Fe N O S
• Title of publication: Synthesis of kinase inhibitors containing a pentafluorosulfanyl moiety.
• Authors of publication: Sansook, Supojjanee; Ocasio, Cory A.; Day, Iain J.; Tizzard, Graham J.; Coles, Simon J.; Fedorov, Oleg; Bennett, James M.; Elkins, Jonathan M.; Spencer, John
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 40
• Pages of publication: 8655 - 8660
• a: 6.3732 ± 0.0003 Å
• b: 12.03 ± 0.0007 Å
• c: 12.4738 ± 0.0006 Å
• α: 67.624 ± 0.005°
• β: 79.476 ± 0.004°
• γ: 87.476 ± 0.005°
• Cell volume: 869.13 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No