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Information card for entry 4088239
Preview
Coordinates | 4088239.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H77 B9 N5 Ta |
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Calculated formula | C41 H77 B9 N5 Ta |
SMILES | [Ta]12345([C]678([CH]9%101[BH]1%112[BH]2%123[BH]347[BH]47%12[BH]%12%112[BH]291[BH]18%10[BH]634[BH]7%1221)CCN(C)C)(C)N(C1CCCCC1)C1C(=NC2(CCCCC2)N(C=1)C1CCCCC1)C(C)(C)N5C(C)C.Cc1ccccc1 |
Title of publication | Tantallacarborane Mediated Consecutive C‒C and C‒N Coupling Reactions of Alkyl Isonitriles: A Facile Route to N-Heterocycles |
Authors of publication | Xiang, Li; Xie, Zuowei |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 2 |
Pages of publication | 233 |
a | 10.8167 ± 0.0004 Å |
b | 15.3176 ± 0.0006 Å |
c | 16.2594 ± 0.0006 Å |
α | 98.736 ± 0.001° |
β | 108.384 ± 0.001° |
γ | 108.638 ± 0.001° |
Cell volume | 2324.79 ± 0.15 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0665 |
Residual factor for significantly intense reflections | 0.0624 |
Weighted residual factors for significantly intense reflections | 0.153 |
Weighted residual factors for all reflections included in the refinement | 0.1581 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4088239.html
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Users of the data should acknowledge the original authors of the
structural data.