Information card for entry 7056741

Structure parameters

• Formula: C28 H48 Ga2 N2 O4
• Calculated formula: C28 H48 Ga2 N2 O4
• SMILES: [C@@H](COc1ccccc1)(CNC(C)C)[O]1[Ga](C)(C)[O]([C@H](COc2ccccc2)CNC(C)C)[Ga]1(C)C.[C@H](COc1ccccc1)(CNC(C)C)[O]1[Ga](C)(C)[O]([C@@H](COc2ccccc2)CNC(C)C)[Ga]1(C)C
• Title of publication: Dialkylgallium alkoxides – a tool for facile and stereoselective synthesis of PLA-drug conjugates
• Authors of publication: Cybularczyk, Martyna; Zaremba, Rafał; Hurko, Aleksander; Plichta, Andrzej Tadeusz; Dranka, Maciej; Horeglad, Paweł
• Journal of publication: New Journal of Chemistry
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 24
• Pages of publication: 14851 - 14854
• a: 21.4049 ± 0.0007 Å
• b: 8.2553 ± 0.0003 Å
• c: 18.0932 ± 0.0005 Å
• α: 90°
• β: 100.559 ± 0.003°
• γ: 90°
• Cell volume: 3143 ± 0.18 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No