Information card for entry 7238491

Structure parameters

• Formula: C11 H15 N O6
• Calculated formula: C11 H15 N O6
• Title of publication: Interesting organic supramolecular structures constructed by piperazine/N,N′-dimethylpiperazine with aromatic multicomponent acids: synthon cooperation and structural diversity
• Authors of publication: Wang, Lei; Zhao, Lei; Xu, Lingyan; Chen, Ruixin; Yang, Yu
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6998
• a: 8.4396 ± 0.0014 Å
• b: 8.5941 ± 0.0015 Å
• c: 8.9356 ± 0.0015 Å
• α: 88.535 ± 0.004°
• β: 84.804 ± 0.004°
• γ: 66.083 ± 0.004°
• Cell volume: 589.98 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0552
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No