Information card for entry 7106638

Structure parameters

• Formula: C20 H22 N4 O4
• Calculated formula: C20 H22 N4 O4
• Title of publication: Imidazolium ylides from a conjugate addition-proton transfer route and their cycloaddition reactions
• Authors of publication: Raymond C. F. Jones; James N. Iley; Maria Sanchis-Amat; Xiaohui Zhang; Vickie McKee; Simon J. Coles; Thomas Gelbrich
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 7965
• a: 6.561 ± 0.003 Å
• b: 9.171 ± 0.004 Å
• c: 32.072 ± 0.013 Å
• α: 90°
• β: 94.608 ± 0.006°
• γ: 90°
• Cell volume: 1923.6 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1062
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.2177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.8464 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No