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Information card for entry 1549933
Preview
Coordinates | 1549933.cif |
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Original paper (by DOI) | HTML |
Formula | C49 H50 N6 O Y |
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Calculated formula | C49 H50 N6 O Y |
SMILES | [Y]123([O]4CCCC4)([NH]=C(N1c1c(cccc1C)C)c1ccccc1)([NH]=C(N2c1c(cccc1C)C)c1ccccc1)[NH]C(=[N]3c1c(cccc1C)C)c1ccccc1 |
Title of publication | Intramolecular alkene hydroamination and degradation of amidines: divergent behavior of rare earth metal amidinate intermediates |
Authors of publication | Zhang, Dexing; Liu, Ruiting; Zhou, Xigeng |
Journal of publication | Catalysis Science & Technology |
Year of publication | 2018 |
Journal volume | 8 |
Journal issue | 21 |
Pages of publication | 5573 |
a | 22.637 ± 0.006 Å |
b | 9.781 ± 0.003 Å |
c | 23.089 ± 0.006 Å |
α | 90° |
β | 118.062 ± 0.004° |
γ | 90° |
Cell volume | 4511 ± 2 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 5 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/n 1 |
Hall space group symbol | -P 2yac |
Residual factor for all reflections | 0.0584 |
Residual factor for significantly intense reflections | 0.0437 |
Weighted residual factors for significantly intense reflections | 0.1321 |
Weighted residual factors for all reflections included in the refinement | 0.1459 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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