Information card for entry 7241939

Structure parameters

• Formula: C36 H30 Br N O3 P2
• Calculated formula: C36 H30 Br N O3 P2
• 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: 9.4724 ± 0.0004 Å
• b: 19.7442 ± 0.0009 Å
• c: 16.8171 ± 0.0007 Å
• α: 90°
• β: 103.818 ± 0.0013°
• γ: 90°
• Cell volume: 3054.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No