Information card for entry 7042971

Structure parameters

• Formula: C60 H93 Cl3 In2 N4 O3
• Calculated formula: C60 H93 Cl3 In2 N4 O3
• SMILES: [In]123(Cl)([Cl][In]45(Cl)(Oc6c(C[NH]5[C@@H]5[C@@H]([N]4(C)C)CCCC5)cc(cc6C(C)(C)C)C(C)(C)C)[O]1c1ccc(cc1)C)Oc1c(C[NH]3[C@@H]3[C@@H]([N]2(C)C)CCCC3)cc(cc1C(C)(C)C)C(C)(C)C.c1(ccccc1)C.[In]123(Cl)([Cl][In]45(Cl)(Oc6c(C[NH]5[C@H]5[C@H]([N]4(C)C)CCCC5)cc(cc6C(C)(C)C)C(C)(C)C)[O]1c1ccc(cc1)C)Oc1c(C[NH]3[C@H]3[C@H]([N]2(C)C)CCCC3)cc(cc1C(C)(C)C)C(C)(C)C.c1(ccccc1)C
• Title of publication: Impact of aryloxy initiators on the living and immortal polymerization of lactide.
• Authors of publication: Chile, L.-E.; Ebrahimi, T.; Wong, A.; Aluthge, D. C.; Hatzikiriakos, S. G.; Mehrkhodavandi, P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• a: 18.461 ± 0.005 Å
• b: 20.588 ± 0.005 Å
• c: 19.118 ± 0.005 Å
• α: 90°
• β: 110.389 ± 0.004°
• γ: 90°
• Cell volume: 6811 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.1846
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2034
• Weighted residual factors for all reflections included in the refinement: 0.2556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No