Information card for entry 2209784

Structure parameters

• Chemical name: Tetramethyl 2,6-dioxoadamantane-1,3,5,7-tetracarboxylate
• Formula: C18 H20 O10
• Calculated formula: C18 H20 O10
• SMILES: COC(=O)C12CC3(CC(C2=O)(CC(C1)(C3=O)C(=O)OC)C(=O)OC)C(=O)OC
• Title of publication: Tetramethyl 2,6-dioxoadamantane-1,3,5,7-tetracarboxylate
• Authors of publication: Keblys, Vita E.; Fronczek, Frank R.; Newkome, George R.; Watkins, Steven F.; Weis, Claus D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3280 - o3281
• a: 12.7635 ± 0.0008 Å
• b: 12.7635 ± 0.0008 Å
• c: 10.8158 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1761.97 ± 0.18 ų
• Cell temperature: 110 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes