Information card for entry 2012583

Structure parameters

• Chemical name: Cyclohexylphosphonic acid
• Formula: C6 H13 O3 P
• Calculated formula: C6 H13 O3 P
• SMILES: C1(CCCCC1)P(=O)(O)O
• Title of publication: Cyclohexylphosphonic acid
• Authors of publication: Merz, Klaus; Knüfer, Annegret
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o187 - o188
• a: 6.8193 ± 0.0014 Å
• b: 6.7291 ± 0.0013 Å
• c: 9.0902 ± 0.0018 Å
• α: 90°
• β: 104.72 ± 0.03°
• γ: 90°
• Cell volume: 403.44 ± 0.15 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes