Information card for entry 7700788

Structure parameters

• Formula: C25 H8 B F15 N2 O
• Calculated formula: C25 H8 B F15 N2 O
• SMILES: Fc1c(c(F)c(F)c(F)c1F)[B]([NH2]NC(=O)c1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Reactions of hydrazones and hydrazides with Lewis acidic boranes.
• Authors of publication: Gazis, Theodore A.; Dasgupta, Ayan; Hill, Michael S.; Rawson, Jeremy M.; Wirth, Thomas; Melen, Rebecca L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 33
• Pages of publication: 12391 - 12395
• a: 10.8497 ± 0.0005 Å
• b: 16.1722 ± 0.0008 Å
• c: 13.6947 ± 0.0006 Å
• α: 90°
• β: 104.795 ± 0.005°
• γ: 90°
• Cell volume: 2323.25 ± 0.19 ų
• Cell temperature: 199.97 ± 0.13 K
• Ambient diffraction temperature: 199.97 ± 0.13 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: 0.0504
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No