Information card for entry 4081706

Structure parameters

• Formula: C48 H74 Mg N4 O
• Calculated formula: C48 H74 Mg N4 O
• SMILES: [O]1([Mg]23(N(C(=[N]2C2CCCCC2)c2c(C)cc(cc2C)C)C2CCCCC2)N(C(=[N]3C2CCCCC2)c2c(cc(cc2C)C)C)C2CCCCC2)CCCC1
• Title of publication: Catalytic C‒C Bond Formation Promoted by Organo- and Amidomagnesium(II) Compounds
• Authors of publication: Schwamm, Ryan J.; Coles, Martyn P.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5277
• a: 10.2435 ± 0.00013 Å
• b: 10.2435 ± 0.00013 Å
• c: 43.704 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4585.83 ± 0.11 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No