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Information card for entry 4064175
Preview
Coordinates | 4064175.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 1,2,4-N(Me2)NC(NAr)N(Ar)C(O) |
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Formula | C28 H40 N4 O |
Calculated formula | C28 H40 N4 O |
SMILES | N1(=NC(N(C1=O)c1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C)(C)C |
Title of publication | Reactions of Cyclopentadienyl−Amidinate Titanium Hydrazides with CO2, CS2, and Isocyanates: Ti═NαCycloaddition, Cycloaddition−Insertion, and Cycloaddition−NNR2Group Transfer Reactions |
Authors of publication | Tiong, Pei Jen; Nova, Ainara; Groom, Laura R.; Schwarz, Andrew D.; Selby, Jonathan D.; Schofield, A. Daniel; Clot, Eric; Mountford, Philip |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 5 |
Pages of publication | 1182 |
a | 12.0805 ± 0.0002 Å |
b | 12.7622 ± 0.0003 Å |
c | 17.7166 ± 0.0004 Å |
α | 90° |
β | 92.8483 ± 0.0009° |
γ | 90° |
Cell volume | 2728.06 ± 0.1 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
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 | 0.0972 |
Residual factor for significantly intense reflections | 0.0553 |
Weighted residual factors for all reflections | 0.0855 |
Weighted residual factors for significantly intense reflections | 0.0528 |
Weighted residual factors for all reflections included in the refinement | 0.0484 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1165 |
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.
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Users of the data should acknowledge the original authors of the
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