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Information card for entry 4069442
Preview
Coordinates | 4069442.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H32 N4 Ti |
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Calculated formula | C24 H32 N4 Ti |
SMILES | [Ti](n1c(c(c2ccccc12)C)C)(n1c(c(c2ccccc12)C)C)(N(C)C)N(C)C |
Title of publication | One-Step Route to 2,3-Diaminopyrroles Using a Titanium-Catalyzed Four-Component Coupling |
Authors of publication | Barnea, Eyal; Majumder, Supriyo; Staples, Richard J.; Odom, Aaron L. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 13 |
Pages of publication | 3876 |
a | 11.3824 ± 0.0006 Å |
b | 11.698 ± 0.0006 Å |
c | 17.1197 ± 0.0009 Å |
α | 90° |
β | 96.946 ± 0.003° |
γ | 90° |
Cell volume | 2262.8 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.1133 |
Residual factor for significantly intense reflections | 0.0893 |
Weighted residual factors for significantly intense reflections | 0.2447 |
Weighted residual factors for all reflections included in the refinement | 0.2669 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation probe | x-ray |
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/4069442.html
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