Information card for entry 7125046

Structure parameters

• Formula: C17 H25 Br O
• Calculated formula: C17 H25 Br O
• Title of publication: Stable bromoallene oxides.
• Authors of publication: Christopher Braddock, D.; Mahtey, Areeb; Rzepa, Henry S.; White, Andrew J. P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 75
• Pages of publication: 11219 - 11222
• a: 10.8427 ± 0.0007 Å
• b: 6.8117 ± 0.0004 Å
• c: 21.255 ± 0.0017 Å
• α: 90°
• β: 94.932 ± 0.006°
• γ: 90°
• Cell volume: 1564.02 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.1118
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No