Information card for entry 2216319

Structure parameters

• Common name: not relevant
• Chemical name: Cyclohexylammonium hydrogensquarate hemihydrate
• Formula: C10 H16 N O4.5
• Calculated formula: C10 H16 N O4.5
• SMILES: [NH3+]C1CCCCC1.O=C1C(O)=C([O-])C1=O.O
• Title of publication: Cyclohexylammonium hydrogensquarate hemihydrate
• Authors of publication: Tsonko Kolev; Bojidarka Koleva; Rüdiger W. Seidel; Michael Spiteller; William S. Sheldrick
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4852 - o4852
• a: 9.3553 ± 0.0008 Å
• b: 11.087 ± 0.004 Å
• c: 22.188 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2301.4 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes