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Information card for entry 1502790
Preview
| Coordinates | 1502790.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H44 O Si |
|---|---|
| Calculated formula | C34 H44 O Si |
| SMILES | [Si]1(C2(Oc3c(cc(cc13)C)C(C)(C)C)c1c(c3c2cc(cc3)C(C)(C)C)ccc(c1)C(C)(C)C)(C)C |
| Title of publication | Rational Design of Silicon-Bridged Fluorenyl−Phenoxy Group 4 Metal Complexes as Catalysts for Producing High Molecular Weight Copolymers of Ethylene and 1-Hexene at Elevated Temperature |
| Authors of publication | Senda, Taichi; Hanaoka, Hidenori; Nakahara, Shinya; Oda, Yoshiaki; Tsurugi, Hayato; Mashima, Kazushi |
| Journal of publication | Macromolecules |
| Year of publication | 2010 |
| Journal volume | 43 |
| Journal issue | 5 |
| Pages of publication | 2299 |
| a | 9.23 ± 0.002 Å |
| b | 10.5413 ± 0.0019 Å |
| c | 15.742 ± 0.003 Å |
| α | 96.051 ± 0.005° |
| β | 97.568 ± 0.011° |
| γ | 95.234 ± 0.009° |
| Cell volume | 1501.2 ± 0.5 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0663 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1357 |
| Weighted residual factors for all reflections included in the refinement | 0.1461 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1502790.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1502790.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502790.cif |
| 36750 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1502789, 1502790 via cif-deposit CGI script. |
1502790.cif |
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Users of the data should acknowledge the original authors of the
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