Information card for entry 7012218

Structure parameters

• Formula: C7 H8 K N O3
• Calculated formula: C7 H8 K N O3
• SMILES: [K+].c1(C(=O)[O-])ccccc1N.O
• Title of publication: The structural chemistry of lithium, sodium and potassium anthranilate hydrates
• Authors of publication: Frank Wiesbrock; Hubert Schmidbaur
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 4703 - 4708
• a: 14.7016 ± 0.0003 Å
• b: 7.6112 ± 0.0001 Å
• c: 7.4325 ± 0.0001 Å
• α: 90°
• β: 96.897 ± 0.001°
• γ: 90°
• Cell volume: 825.65 ± 0.02 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No