Information card for entry 2019248

Structure parameters

• Chemical name: <i>catena</i>-poly[[μ~2~-2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoato-κ^2^<i>O</i>^1^,<i>O</i>^2^][μ~2~-2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid-κ<i>O</i>^1^]potassium]
• Formula: C22 H19 K O10
• Calculated formula: C22 H19 K O10
• SMILES: [K+].OC(=O)/C(=C/C(=O)c1ccc(OC)cc1)O.[O-]C(=O)C(=C\C(=O)c1ccc(OC)cc1)\O
• Title of publication: 3,4-Dihydroxy-1,6-bis(4-methoxyphenyl)hexa-2,4-diene-1,6-dione, its 4-methylphenyl analogue, and a potassium salt of 2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid
• Authors of publication: Nye, Luke; Turnbull, Mark M.; Wikaira, Jan L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: 1317 - 1321
• a: 15.3832 ± 0.0004 Å
• b: 6.3481 ± 0.0001 Å
• c: 21.1606 ± 0.0005 Å
• α: 90°
• β: 90.582 ± 0.001°
• γ: 90°
• Cell volume: 2066.31 ± 0.08 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116 ± 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: 0.0368
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No