Information card for entry 1548543

Structure parameters

• Formula: C14 H18 N2 O4
• Calculated formula: C14 H18 N2 O4
• Title of publication: Exploring the role of ionic liquids to tune the polymorphic outcome of organic compounds.
• Authors of publication: Zeng, Qingying; Mukherjee, Arijit; Müller, Peter; Rogers, Robin D.; Myerson, Allan S.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 1510 - 1520
• a: 6.746 ± 0.003 Å
• b: 7.246 ± 0.003 Å
• c: 7.434 ± 0.003 Å
• α: 77.801 ± 0.007°
• β: 83.65 ± 0.008°
• γ: 88.409 ± 0.007°
• Cell volume: 353 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No