Information card for entry 2103270

Structure parameters

• Chemical name: 1,4-Diazabicyclo[2.2.2]octane‒racemic tartaric acid (1/2)
• Formula: C14 H24 N2 O12
• Calculated formula: C14 H24 N2 O12
• Title of publication: Chiral <i>versus</i> racemic building blocks in supramolecular chemistry: tartrate salts of organic diamines
• Authors of publication: Farrell, Dorcas M. M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: 272 - 288
• a: 7.324 ± 0.0001 Å
• b: 15.9935 ± 0.0003 Å
• c: 7.5149 ± 0.0001 Å
• α: 90°
• β: 94.405 ± 0.0011°
• γ: 90°
• Cell volume: 877.67 ± 0.02 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes