Information card for entry 4331361

Structure parameters

• Formula: C88 H136 K2 O10
• Calculated formula: C88 H136 K2 O10
• SMILES: c12cc(cc(c1[OH][K]([O]1CCCC1)([O]1CCCC1)(Oc1c(cc(cc1C2c1ccc(cc1)C1c2cc(cc(c2O[K]([O]3CCCC3)([O]3CCCC3)([OH]c2c1cc(cc2C(C)(C)C)C(C)(C)C)[O]1CCCC1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[O]1CCCC1)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and Characterization of Multi-Alkali-Metal Tetraphenolates and Application in Ring-Opening Polymerization of Lactide
• Authors of publication: Jinjin Zhang; Chunli Jian; Yuan Gao; Lei Wang; Ning Tang; Jincai Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 13380 - 13389
• a: 28.303 ± 0.016 Å
• b: 25.16 ± 0.014 Å
• c: 15.445 ± 0.009 Å
• α: 90°
• β: 120.72 ± 0.006°
• γ: 90°
• Cell volume: 9455 ± 9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.2412
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.248
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No