Information card for entry 4063338

Structure parameters

• Formula: C41 H57 Mg N3 O2
• Calculated formula: C41 H57 Mg N3 O2
• SMILES: [Mg]12(N(c3c(C(C)C)cccc3C(C)C)C(=C)c3[n]1c(ccc3)C(=C)N2c1c(C(C)C)cccc1C(C)C)([O]1CCCC1)[O]1CCCC1
• Title of publication: Dearomatization and C‒H Deprotonation with Heavier Group 2 Alkyls: Does Size Matter?
• Authors of publication: Merle Arrowsmith; Michael S. Hill; Gabriele Kociok-Kḧon
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 19
• Pages of publication: 4203 - 4206
• a: 11.3851 ± 0.0002 Å
• b: 17.0663 ± 0.0004 Å
• c: 19.7459 ± 0.0005 Å
• α: 90°
• β: 101.907 ± 0.0014°
• γ: 90°
• Cell volume: 3754.11 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0997
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No