Information card for entry 7203177

Structure parameters

• Common name: 4-NITROPHENYL PHOSPHORIC ACID
• Chemical name: 4-NITROPHENYL PHOSPHORIC ACID
• Formula: C6 H6 N O6 P
• Calculated formula: C6 H6 N O6 P
• SMILES: P(=O)(Oc1ccc(cc1)N(=O)=O)(O)O
• Title of publication: 4-Nitrophenyl phosphoric acid and its four different potassium salts: a solid state structure and kinetic study
• Authors of publication: Kuczek, Marian; Bryndal, Iwona; Lis, Tadeusz
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 150
• a: 5.37 ± 0.003 Å
• b: 6.213 ± 0.003 Å
• c: 12.481 ± 0.004 Å
• α: 90°
• β: 102.31 ± 0.03°
• γ: 90°
• Cell volume: 406.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No