Information card for entry 4087470

Structure parameters

• Formula: C48 H66 Mg2 N2 O2
• Calculated formula: C48 H66 Mg2 N2 O2
• SMILES: C(CC[N]12CCCCC1)(c1ccccc1)([O]1[Mg]2(CCCC)[O]2C(CC[N]3(CCCCC3)[Mg]12CCCC)(c1ccccc1)c1ccccc1)c1ccccc1
• 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: 10.312 ± 0.003 Å
• b: 10.438 ± 0.003 Å
• c: 10.753 ± 0.003 Å
• α: 96.53 ± 0.02°
• β: 93.75 ± 0.02°
• γ: 112.64 ± 0.02°
• Cell volume: 1053.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No