Information card for entry 1518471

Structure parameters

• Common name: 2-morpholin-1-yl-ethyl squarate dianion
• Formula: C8 H15 N2 O3
• Calculated formula: C8 H15 N2 O3
• 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: 8.504 ± 0.0015 Å
• b: 11.8666 ± 0.0017 Å
• c: 9.5595 ± 0.0015 Å
• α: 90°
• β: 96.868 ± 0.004°
• γ: 90°
• Cell volume: 957.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.74
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No