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Information card for entry 4340235
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4340235.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H50 N2 O14 Ti2 |
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Calculated formula | C30 H50 N2 O14 Ti2 |
SMILES | C(C)(C)O[Ti]12([OH]C(C)C)(OC(C)C)[O]3c4cc(ccc4O[Ti]3([OH]C(C)C)(OC(C)C)(OC(C)C)[O]1c1cc(ccc1O2)N(=O)=O)N(=O)=O |
Title of publication | Synthesis and X-ray structures of new titanium(IV) aryloxides and their exploitation for the ring opening polymerization of epsilon-caprolactone. |
Authors of publication | Davidson, Matthew G.; Jones, Matthew D.; Lunn, Matthew D.; Mahon, Mary F. |
Journal of publication | Inorganic chemistry |
Year of publication | 2006 |
Journal volume | 45 |
Journal issue | 5 |
Pages of publication | 2282 - 2287 |
a | 8.177 ± 0.0001 Å |
b | 11.39 ± 0.0002 Å |
c | 20.813 ± 0.0004 Å |
α | 90° |
β | 101.152 ± 0.001° |
γ | 90° |
Cell volume | 1901.84 ± 0.06 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0667 |
Residual factor for significantly intense reflections | 0.0507 |
Weighted residual factors for significantly intense reflections | 0.1275 |
Weighted residual factors for all reflections included in the refinement | 0.139 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/4340235.html
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Users of the data should acknowledge the original authors of the
structural data.