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Information card for entry 4064491
Preview
| Coordinates | 4064491.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66.5 H82.5 O4 Ta |
|---|---|
| Calculated formula | C66.5 H82.5 O4 Ta |
| Title of publication | Synthesis of Novel Tantalacalixarene Complexes: First Example of Intramolecular CH Activation of Monodepleted Aromatic Ring |
| Authors of publication | Espinas, Jeff; Pelletier, Jérémie; Jeanneau, Erwan; Darbost, Ulrich; Szeto, Kai C.; Lucas, Christine; Thivolle-Cazat, Jean; Duchamp, Christian; Henriques, Natali; Bouchu, Denis; Basset, Jean-Marie; Chermette, Henry; Bonnamour, Isabelle; Taoufik, Mostafa |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 13 |
| Pages of publication | 3512 |
| a | 14.653 ± 0.005 Å |
| b | 19.076 ± 0.005 Å |
| c | 21.946 ± 0.005 Å |
| α | 90° |
| β | 105.974 ± 0.005° |
| γ | 90° |
| Cell volume | 5897 ± 3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| 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 | 0.089 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for all reflections | 0.0763 |
| Weighted residual factors for significantly intense reflections | 0.0256 |
| Weighted residual factors for all reflections included in the refinement | 0.0236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1336 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4064491.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064491.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064491.cif |
| 32926 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064491 via cif-deposit CGI script. |
4064491.cif |
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Users of the data should acknowledge the original authors of the
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