Information card for entry 2233700
Chemical name |
[(4<i>R</i>,5<i>R</i>)-(2,2-Dimethyl-1,3-dioxolane-4,5- diyl)bis(diphenylmethanolato)]-κ^2^<i>O</i>:<i>O</i>']bis(<i>N</i>- methylmethanaminato)titanium(IV) |
Formula |
C35 H40 N2 O4 Ti |
Calculated formula |
C35 H40 N2 O4 Ti |
SMILES |
[Ti]1(OC([C@@H]2OC(O[C@H]2C(O1)(c1ccccc1)c1ccccc1)(C)C)(c1ccccc1)c1ccccc1)(N(C)C)N(C)C |
Title of publication |
[(4<i>R</i>,5<i>R</i>)-(2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(diphenylmethanolato)-κ^2^<i>O</i>:<i>O</i>']bis(<i>N</i>-methylmethanaminato)titanium(IV) |
Authors of publication |
Roteta, Leslie; Tanski, Joseph M. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
2 |
Pages of publication |
m217 |
a |
9.493 ± 0.002 Å |
b |
21.406 ± 0.006 Å |
c |
15.743 ± 0.004 Å |
α |
90° |
β |
93.562 ± 0.004° |
γ |
90° |
Cell volume |
3192.9 ± 1.4 Å3 |
Cell temperature |
125 ± 2 K |
Ambient diffraction temperature |
125 ± 2 K |
Number of distinct elements |
5 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.1165 |
Residual factor for significantly intense reflections |
0.0677 |
Weighted residual factors for significantly intense reflections |
0.1462 |
Weighted residual factors for all reflections included in the refinement |
0.1695 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.003 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2233700.html