Information card for entry 7026965

Structure parameters

• Formula: C38 H55 Mg N3
• Calculated formula: C38 H55 Mg N3
• SMILES: CC1=CC(C)=[N](c2c(cccc2C(C)C)C(C)C)[Mg](CCCC)(N1c1c(cccc1C(C)C)C(C)C)[n]1ccccc1
• Title of publication: Magnesium hydride-promoted dearomatisation of pyridine.
• Authors of publication: Hill, Michael S.; MacDougall, Dugald J.; Mahon, Mary F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 46
• Pages of publication: 11129 - 11131
• a: 12.738 ± 0.0004 Å
• b: 12.912 ± 0.0005 Å
• c: 22.187 ± 0.0007 Å
• α: 90°
• β: 90.308 ± 0.002°
• γ: 90°
• Cell volume: 3649.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1312
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.2098
• Weighted residual factors for all reflections included in the refinement: 0.2424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No