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Information card for entry 4115391
Preview
Coordinates | 4115391.cif |
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Original paper (by DOI) | HTML |
Formula | C62 H50 N2 O6 Ti |
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Calculated formula | C62 H50 N2 O6 Ti |
SMILES | [Ti]1234(Oc5ccc6ccccc6c5c5c6ccccc6ccc5[N]3=Cc3ccccc3O1)Oc1ccc3ccccc3c1c1c3ccccc3ccc1[N]4=Cc1ccccc1O2.O1CCCC1.O1CCCC1 |
Title of publication | To Probe the Origin of Activation Effect of Carboxylic Acid and (+)-NLE in Tridentated Titanium Catalyst Systems |
Authors of publication | Yu Yuan; Xin Li; Jie Sun; Kuiling Ding |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 14866 - 14867 |
a | 10.5299 ± 0.0007 Å |
b | 14.42 ± 0.0009 Å |
c | 17.4768 ± 0.0011 Å |
α | 102.507 ± 0.001° |
β | 102.949 ± 0.001° |
γ | 91.993 ± 0.001° |
Cell volume | 2515.1 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1199 |
Residual factor for significantly intense reflections | 0.05 |
Weighted residual factors for significantly intense reflections | 0.1069 |
Weighted residual factors for all reflections included in the refinement | 0.1169 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.714 |
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/4115391.html
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