Information card for entry 1518189

Structure parameters

• Formula: C49 H66 O2
• Calculated formula: C49 H66 O2
• SMILES: Oc1c(cc(cc1C1(c2c(Oc3c1cc(cc3C(C)(C)C)C(C)(C)C)c(cc(c2)C(C)(C)C)C(C)(C)C)c1ccccc1)C(C)(C)C)C(C)(C)C
• Title of publication: Highly Iso-Selective and Active Catalysts of Sodium and Potassium Monophenoxides Capped by a Crown Ether for the Ring-Opening Polymerization ofrac-Lactide
• Authors of publication: Zhang, Jinjin; Xiong, Jiao; Sun, Yangyang; Tang, Ning; Wu, Jincai
• Journal of publication: Macromolecules
• Year of publication: 2014
• Journal volume: 47
• Journal issue: 22
• Pages of publication: 7789
• a: 10.7295 ± 0.0006 Å
• b: 25.4389 ± 0.0015 Å
• c: 32.8409 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8963.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No