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Information card for entry 7101312
Preview
Coordinates | 7101312.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H64 Al N4 Na |
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Calculated formula | C32 H64 Al N4 Na |
SMILES | [N]1([Na]2([N](C)(CC[N]2(C)C)C)[N](C)(C)CC1)(C)C.[Al](CC(C)C)(CC(C)C)(CC(C)C)C#Cc1ccccc1 |
Title of publication | New reactivity and structural insights of alkali-metal-mediated alumination in directed ortho-alumination of a tertiary aromatic amide |
Authors of publication | R. E. Mulvey; Joaquin Garcia-Alvarez; D. Graham; Alan Kennedy; Susan Weatherstone |
Journal of publication | Chemical Communications |
Year of publication | 2006 |
Journal issue | 30 |
a | 9.4085 ± 0.0004 Å |
b | 9.7578 ± 0.0004 Å |
c | 10.5611 ± 0.0004 Å |
α | 102.489 ± 0.002° |
β | 102.94 ± 0.002° |
γ | 91.186 ± 0.002° |
Cell volume | 920.16 ± 0.06 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0821 |
Residual factor for significantly intense reflections | 0.0537 |
Weighted residual factors for significantly intense reflections | 0.1024 |
Weighted residual factors for all reflections included in the refinement | 0.1163 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
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/7101312.html
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