Information card for entry 7238494

Structure parameters

• Formula: C19 H23 N O6
• Calculated formula: C19 H23 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: 14.95 ± 0.002 Å
• b: 7.5242 ± 0.0015 Å
• c: 16.563 ± 0.003 Å
• α: 90°
• β: 92.834 ± 0.002°
• γ: 90°
• Cell volume: 1860.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1836
• Weighted residual factors for all reflections included in the refinement: 0.2038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No