Information card for entry 4116468

Structure parameters

• Formula: C7 H7 K O9
• Calculated formula: C7 H7 K O9
• SMILES: C(=O)(C(=O)c1c(cc(C(=O)O)o1)O)[O-].O.O.[K+]
• Title of publication: Poppy Acid: Synthesis and Crystal Chemistry
• Authors of publication: Scott Lovell; Paramjeet Subramony; Bart Kahr
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 7020 - 7025
• a: 6.554 ± 0.002 Å
• b: 16.73 ± 0.004 Å
• c: 9.633 ± 0.002 Å
• α: 90°
• β: 106 ± 0.02°
• γ: 90°
• Cell volume: 1015.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No