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Information card for entry 4114418
Preview
Coordinates | 4114418.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H63 Lu N2 O2 Si4 |
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Calculated formula | C29 H63 Lu N2 O2 Si4 |
SMILES | [Lu]1(C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)N2[C@H](COC2=CC2=[N]1[C@H](CO2)C(C)(C)C)C(C)(C)C |
Title of publication | C2-Symmetric Bis(oxazolinato)lanthanide Catalysts for Enantioselective Intramolecular Hydroamination/Cyclization |
Authors of publication | Sukwon Hong; Shun Tian; Matthew V. Metz; Tobin J. Marks |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 14768 - 14783 |
a | 11.7693 ± 0.0009 Å |
b | 17.6598 ± 0.0014 Å |
c | 18.4591 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3836.6 ± 0.5 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0428 |
Residual factor for significantly intense reflections | 0.0286 |
Weighted residual factors for significantly intense reflections | 0.0588 |
Weighted residual factors for all reflections included in the refinement | 0.0624 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
178915 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/44. |
4114418.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114418.cif |
67739 | 2012-10-03 | cif/ Adding structures of 4114418 via cif-deposit CGI script. |
4114418.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.