Information card for entry 7210924

Structure parameters

• Common name: 1,5,7-triazabicyclo[4.4.0]dec-5-ene.glycolicacid
• Chemical name: 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium.glycolate
• Formula: C9 H19 N3 O4
• Calculated formula: C9 H18.996 N3 O3.998
• Title of publication: Supramolecular 1D ribbons in complexes between a bicyclic-guanidine derivative and di- or monocarboxylic acids
• Authors of publication: Yadav, Vitthal N.; Görbitz, Carl Henrik
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 36
• Pages of publication: 7321
• a: 7.1832 ± 0.0007 Å
• b: 8.9257 ± 0.0009 Å
• c: 9.8008 ± 0.001 Å
• α: 71.298 ± 0.001°
• β: 75.374 ± 0.001°
• γ: 81.203 ± 0.001°
• Cell volume: 574.13 ± 0.1 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0374
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No