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Information card for entry 1556363
Preview
Coordinates | 1556363.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Chisholm 1828 |
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Formula | C52 H70 Mg N2 O4 |
Calculated formula | C52 H70 Mg N2 O4 |
SMILES | c1(ccc2=C(c3ccc(n3[Mg]([n]12)(OC(C)(C)C)[O]1CCCC1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cc(C)cc1C)C.O1CCCC1.O1CCCC1 |
Title of publication | Chemistry of magnesium alkyls supported by 1,5,9-trimesityldipyrromethene and 2-[(2,6-diisopropylphenyl)amino]-4-[(2,6-diisopropylphenyl)imino]pent-2-ene. A comparative study |
Authors of publication | Chisholm, Malcolm H.; Choojun, Kittisak; Gallucci, Judith C.; Wambua, Pasco M. |
Journal of publication | Chemical Science |
Year of publication | 2012 |
Journal volume | 3 |
Journal issue | 12 |
Pages of publication | 3445 |
a | 18.122 ± 0.0002 Å |
b | 14.9771 ± 0.0002 Å |
c | 18.2681 ± 0.0002 Å |
α | 90° |
β | 103.969 ± 0.001° |
γ | 90° |
Cell volume | 4811.6 ± 0.1 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1069 |
Residual factor for significantly intense reflections | 0.0602 |
Weighted residual factors for significantly intense reflections | 0.1608 |
Weighted residual factors for all reflections included in the refinement | 0.1876 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1556363.html
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