Information card for entry 1504431

Structure parameters

• Formula: C35 H63 Ca N3 O2 Si2
• Calculated formula: C35 H63 Ca N3 O2 Si2
• SMILES: [Ca]12([N](=Cc3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O2)CC[N]1(C)C)([N]([Si](C)(C)C)[Si](C)(C)C)[O]1CCCC1.c1ccccc1
• Title of publication: Ring-Opening Polymerization of Cyclic Monomers by Complexes Derived from Biocompatible Metals. Production of Poly(lactide), Poly(trimethylene carbonate), and Their Copolymers
• Authors of publication: Darensbourg, Donald J.; Choi, Wonsook; Karroonnirun, Osit; Bhuvanesh, Nattamai
• Journal of publication: Macromolecules
• Year of publication: 2008
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 3493
• a: 21.7989 ± 0.0011 Å
• b: 10.4434 ± 0.0006 Å
• c: 17.3961 ± 0.001 Å
• α: 90°
• β: 94.427 ± 0.003°
• γ: 90°
• Cell volume: 3948.5 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No