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Information card for entry 7017386
Preview
Coordinates | 7017386.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H102 Mg2 N8 O2 |
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Calculated formula | C72 H102 Mg2 N8 O2 |
SMILES | C(=C(N([Mg]12([n]3ccc(N(C)C)cc3)[O]3[O]1[Mg]31([n]3ccc(N(C)C)cc3)N(C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)C)C(=[N]2c1c(C(C)C)cccc1C(C)C)C |
Title of publication | Magnesium hydrides and the dearomatisation of pyridine and quinoline derivatives. |
Authors of publication | Hill, Michael S.; Kociok-Köhn, Gabriele; Macdougall, Dugald J.; Mahon, Mary F.; Weetman, Catherine |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 46 |
Pages of publication | 12500 - 12509 |
a | 14.132 ± 0.0007 Å |
b | 13.7311 ± 0.0005 Å |
c | 17.9409 ± 0.0011 Å |
α | 90° |
β | 95.414 ± 0.003° |
γ | 90° |
Cell volume | 3465.9 ± 0.3 Å3 |
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 | 0.1291 |
Residual factor for significantly intense reflections | 0.0845 |
Weighted residual factors for significantly intense reflections | 0.2027 |
Weighted residual factors for all reflections included in the refinement | 0.2394 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7017386.html
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