Information card for entry 1518472

Structure parameters

• Formula: C9 H17 N2 O2
• Calculated formula: C9 H17 N2 O2
• Title of publication: Solid-state UV-MALDI mass spectrometric quantitation of fluroxypyr and triclopyr in soil
• Authors of publication: Ivanova, B.; Spiteller, M.
• Journal of publication: Environmental Geochemistry and Health
• Year of publication: 2015
• a: 10.928 ± 0.004 Å
• b: 6.85 ± 0.003 Å
• c: 14.18 ± 0.004 Å
• α: 90°
• β: 91.265 ± 0.013°
• γ: 90°
• Cell volume: 1061.2 ± 0.7 ų
• Cell temperature: 199 ± 2 K
• Ambient diffraction temperature: 199 ± 2 K
• Number of distinct elements: 4
• 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: 0.0902
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No