Information card for entry 2231171

Structure parameters

• Chemical name: (<i>R</i>)-Methyl {[(2-carboxybicyclo[2.2.2]octan-1-yl)ammonio]methyl}phosphonate dichloromethane 0.25-solvate
• Formula: C11.25 H20.5 Cl0.5 N O5 P
• Calculated formula: C11.25 H20.5 Cl0.5 N O5 P
• Title of publication: (<i>R</i>)-Methyl {[(2-carboxybicyclo[2.2.2]octan-1-yl)ammonio]methyl}phosphonate dichloromethane 0.25-solvate
• Authors of publication: Todorov, Petar; Calmes, Monique; Shivachev, Boris L.; Nikolova, Rosica P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2152 - o2153
• a: 9.352 ± 0.0002 Å
• b: 12.7553 ± 0.0003 Å
• c: 24.1148 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2876.6 ± 0.13 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.2046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes