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Information card for entry 4109063
Preview
Coordinates | 4109063.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H50 Cl4 N2 O4 Ti2 |
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Calculated formula | C38 H50 Cl4 N2 O4 Ti2.051 |
Title of publication | TiIV-Mediated Reactions between Primary Amines and Secondary Carboxamides: Amidine Formation Versus Transamidation |
Authors of publication | Denis A. Kissounko; Justin M. Hoerter; Ilia A. Guzei; Qiang Cui; Samuel H. Gellman; Shannon S. Stahl |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 1776 - 1783 |
a | 10.0119 ± 0.0013 Å |
b | 10.7531 ± 0.0014 Å |
c | 19.057 ± 0.002 Å |
α | 78.537 ± 0.002° |
β | 84.422 ± 0.002° |
γ | 74.298 ± 0.002° |
Cell volume | 1933.6 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.121 |
Residual factor for significantly intense reflections | 0.1078 |
Weighted residual factors for significantly intense reflections | 0.3241 |
Weighted residual factors for all reflections included in the refinement | 0.3603 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/4109063.html
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Users of the data should acknowledge the original authors of the
structural data.