Information card for entry 2015317

Structure parameters

• Chemical name: 1-[4-(Aminocarbonyl)butyl]guanidinium bis(hydrogensquarate)
• Formula: C14 H19 N5 O9
• Calculated formula: C14 H19 N5 O9
• SMILES: C1(=O)C(=O)C(O)=C1[O-].C1(=O)C(=O)C(O)=C1[O-].C(=O)(N)[C@@H]([NH3+])CCCNC(=[NH2+])N
• Title of publication: <small>L</small>-Argininamidium bis(hydrogensquarate)
• Authors of publication: Tsonko Kolev; Michael Spiteller; William S. Sheldrick; Heike Mayer-Figge
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o299 - o300
• a: 5.185 ± 0.001 Å
• b: 16.668 ± 0.003 Å
• c: 10.458 ± 0.002 Å
• α: 90°
• β: 101.9 ± 0.03°
• γ: 90°
• Cell volume: 884.4 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No