Information card for entry 4087471

Structure parameters

• Formula: C42 H70 Mg2 N2 O4
• Calculated formula: C42 H70 Mg2 N2 O4
• SMILES: C[N]1(C)C[C@@H](C2([O]3[Mg]1([O](C1([C@@H](C[N]4(C)C)c5ccc(OC)cc5)CCCCC1)[Mg]34CCCC)CCCC)CCCCC2)c1ccc(OC)cc1
• Title of publication: Synthesis and Structural Characterization of Magnesium Drug Complexes: Efficient Initiators for Forming Polylactide‒Drug Conjugates
• Authors of publication: Han, Tomasz; Petrus, Rafał; Bykowski, Dominik; Jerzykiewicz, Lucjan; Sobota, Piotr
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 4871
• a: 8.447 ± 0.003 Å
• b: 11.022 ± 0.004 Å
• c: 21.977 ± 0.005 Å
• α: 90°
• β: 98.16 ± 0.03°
• γ: 90°
• Cell volume: 2025.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1386
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No