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Information card for entry 4066997
Preview
| Coordinates | 4066997.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H25 O Y |
|---|---|
| Calculated formula | C28 H25 O Y |
| SMILES | [Y]123456789%10%11%12([O]=C(c%13ccccc%13)c%13ccccc%13)([cH]%13[cH]4[cH]3[cH]2[cH]1%13)([cH]1[cH]6[cH]5[cH]7[cH]81)[cH]1[cH]9[cH]%10[cH]%11[cH]%121 |
| Title of publication | Reactions of Cp3Y with Benzophenone: A Simple and Efficient Method for Transformation of Unsubstituted Cyclopentadienyl to Bridgedansa-Cyclopentadienyl/Alkoxyl Ligand |
| Authors of publication | Li, Xiaoqing; Hong, Jianquan; Liu, Ruiting; Weng, Linhong; Zhou, Xigeng |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 20 |
| Pages of publication | 4606 |
| a | 8.352 ± 0.004 Å |
| b | 12.126 ± 0.005 Å |
| c | 12.525 ± 0.005 Å |
| α | 110.628 ± 0.005° |
| β | 102.559 ± 0.005° |
| γ | 99.626 ± 0.005° |
| Cell volume | 1116.7 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0701 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.0875 |
| Weighted residual factors for all reflections included in the refinement | 0.0948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178561 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/69. |
4066997.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066997.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066997.cif |
| 34048 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066997, 4066998, 4066999, 4067000 via cif-deposit CGI script. |
4066997.cif |
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Users of the data should acknowledge the original authors of the
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