Information card for entry 4331364

Structure parameters

• Formula: C91 H134 Na3 O9
• Calculated formula: C91 H134 Na3 O9
• SMILES: [Na]1([O]2[Na]([O]([Na]([O]3CCCC3)[O]3CCCC3)c3c(C(c4cc(ccc4)C(c4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)c1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C)c1c2c(cc(c1)C(C)(C)C)C(C)(C)C)cc(cc3C(C)(C)C)C(C)(C)C)([O]1CCCC1)[O]1CCCC1)[O]1CCCC1.Cc1ccccc1
• 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: 16.749 ± 0.002 Å
• b: 22.288 ± 0.003 Å
• c: 24.722 ± 0.004 Å
• α: 90°
• β: 98.877 ± 0.002°
• γ: 90°
• Cell volume: 9118 ± 2 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: 0.1906
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No