Information card for entry 7241937

Structure parameters

• Formula: C16 H38 Br N O4
• Calculated formula: C16 H38 Br N O4
• Title of publication: Synthesis and structural characterization of CO2-soluble oxidizers [Bu4N]BrO3 and [Bu4N]ClO3 and their dissolution in cosolvent-modified CO2 for reservoir applications
• Authors of publication: Hull, Katherine L.; Schipper, Desmond E.; Oliver, Allen G.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 73
• Pages of publication: 44973 - 44980
• a: 9.8 ± 0.0004 Å
• b: 12.7411 ± 0.0005 Å
• c: 16.7622 ± 0.0006 Å
• α: 90°
• β: 100.024 ± 0.0013°
• γ: 90°
• Cell volume: 2061.03 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No