Information card for entry 7703662

Structure parameters

• Formula: C37 H47 Li N2 O4
• Calculated formula: C37 H47 Li N2 O4
• SMILES: O1c2c(cc(OC)cc2C[N]23Cc4cc(OC)cc(C(C)(C)C)c4[OH][Li]13[n]1c(C2)cccc1)C(C)(C)C.c1c(cccc1)C
• Title of publication: Lithium, sodium, potassium and calcium amine-bis(phenolate) complexes in the ring-opening polymerization of rac-lactide.
• Authors of publication: Devaine-Pressing, Katalin; Oldenburg, Fabio J.; Menzel, Jan P.; Springer, Maximilian; Dawe, Louise N.; Kozak, Christopher M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 1531 - 1544
• a: 17.399 ± 0.007 Å
• b: 12.202 ± 0.005 Å
• c: 19.503 ± 0.01 Å
• α: 90°
• β: 127.7 ± 0.009°
• γ: 90°
• Cell volume: 3276 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.2006
• Residual factor for significantly intense reflections: 0.1163
• Weighted residual factors for significantly intense reflections: 0.1988
• Weighted residual factors for all reflections included in the refinement: 0.2396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No