Information card for entry 4505680

Structure parameters

• Chemical name: 1,4-Bis(3-phenyl-1,3-propanedion)benzene, stable form
• Formula: C24 H18 O4
• Calculated formula: C24 H18 O4
• Title of publication: A New Bridging Chelating Ligand for Crystal Engineering: Synthesis, Polymorphism, and Two Modes of Assembly of 1,4-Bis(3-phenyl-1,3-propanedion)benzene with Metal Cations Resulting in Either Discrete or Polymeric Complexes
• Authors of publication: Soldatov, D. V.; Zanina, A. S.; Enright, G. D.; Ratcliffe, C. I.; Ripmeester, J. A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2003
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 1005
• a: 10.161 ± 0.002 Å
• b: 7.453 ± 0.001 Å
• c: 12.178 ± 0.002 Å
• α: 90°
• β: 103.79 ± 0.01°
• γ: 90°
• Cell volume: 895.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No