Information card for entry 7002751

Structure parameters

• Formula: C90 H124 Mg2 O6
• Calculated formula: C90 H124 Mg2 O6
• SMILES: c12c(cc(cc1[C@@H](c1cc(cc(c1[O]([Mg]1(O2)[O](Cc2ccccc2)[Mg]2(Oc3c(cc(cc3[C@@H](c3cc(cc(c3[O]2C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C)[O]1Cc1ccccc1)C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C.c12c(cc(cc1[C@H](c1cc(cc(c1[O]([Mg]1(O2)[O](Cc2ccccc2)[Mg]2(Oc3c(cc(cc3[C@H](c3cc(cc(c3[O]2C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C)[O]1Cc1ccccc1)C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Preparation and characterization of bisphenolato magnesium derivatives: an efficient catalyst for the ring-opening polymerization of ε-caprolactone and L-lactide
• Authors of publication: Shen, Min-Yi; Peng, Ya-Liu; Hung, Wen-Chou; Lin, Chu-Chieh
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 9906 - 9913
• a: 18.354 ± 0.003 Å
• b: 14.909 ± 0.003 Å
• c: 30.879 ± 0.005 Å
• α: 90°
• β: 100.342 ± 0.004°
• γ: 90°
• Cell volume: 8312 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1839
• Weighted residual factors for all reflections included in the refinement: 0.2081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No