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Information card for entry 7037610
Preview
Coordinates | 7037610.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H88 N8 Na4 |
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Calculated formula | C48 H88 N8 Na4 |
SMILES | CC(C)(C)[C@H]1[N]2(C=CC=C1)[Na]1([N](C)(C)CC[N]1(C)C)[N]1(C=CC=C[C@@H]1C(C)(C)C)[Na]2 |
Title of publication | Accessible heavier s-block dihydropyridines: structural elucidation and reactivity of isolable molecular hydride sources. |
Authors of publication | Orr, Samantha A.; Kennedy, Alan R.; Liggat, John J.; McLellan, Ross; Mulvey, Robert E.; Robertson, Stuart D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 14 |
Pages of publication | 6234 - 6240 |
a | 15.1838 ± 0.0008 Å |
b | 10.7957 ± 0.0005 Å |
c | 17.0882 ± 0.0009 Å |
α | 90° |
β | 106.129 ± 0.005° |
γ | 90° |
Cell volume | 2690.8 ± 0.2 Å3 |
Cell temperature | 123.1 K |
Ambient diffraction temperature | 123.1 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 | 0.0873 |
Residual factor for significantly intense reflections | 0.0562 |
Weighted residual factors for significantly intense reflections | 0.1335 |
Weighted residual factors for all reflections included in the refinement | 0.1521 |
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 | Yes |
Has Fobs | No |
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