Information card for entry 4086167

Structure parameters

• Formula: C23 H34 Mg N4
• Calculated formula: C23 H34 Mg N4
• SMILES: [Mg]123456([n]7n(c(cc7C)C)C(n7[n]1c(cc7C)C)C([c]12[cH]6[cH]5[cH]4[cH]31)C(C)(C)C)CC
• Title of publication: New Racemic and Single Enantiopure Hybrid Scorpionate/Cyclopentadienyl Magnesium and Zinc Initiators for the Stereoselective ROP of Lactides
• Authors of publication: Honrado, Manuel; Otero, Antonio; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Garcés, Andrés; Lara-Sánchez, Agustín; Martínez-Ferrer, Jaime; Sobrino, Sonia; Rodríguez, Ana M.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3196
• a: 9.835 ± 0.003 Å
• b: 24.651 ± 0.008 Å
• c: 10.215 ± 0.003 Å
• α: 90°
• β: 109.539 ± 0.005°
• γ: 90°
• Cell volume: 2333.9 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1108
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No