Information card for entry 2230792

Structure parameters

• Common name: Pimelic acid‒urea (1/2)
• Chemical name: Heptanedioic acid‒urea (1/2)
• Formula: C9 H20 N4 O6
• Calculated formula: C9 H20 N4 O6
• Title of publication: Pimelic acid‒urea (1/2)
• Authors of publication: Xu, Wei; Huang, Wen-xiang; Chen, Hong-yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1795
• a: 15.103 ± 0.003 Å
• b: 11.073 ± 0.002 Å
• c: 9.166 ± 0.0018 Å
• α: 90°
• β: 112.72 ± 0.03°
• γ: 90°
• Cell volume: 1413.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No