Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4333476
Preview
| Coordinates | 4333476.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [LZn3(OAc)2(MeOH)2]CHCl3 |
|---|---|
| Formula | C39 H45 Cl3 N4 O16 Zn3 |
| Calculated formula | C39 H45 Cl3 N4 O16 Zn3 |
| SMILES | [Zn]1234Oc5c(cccc5OCC=C)C=[N]1OCCO[N]2=Cc1c2c5c(cc1)C=[N]1[Zn]67([O]5[Zn]([O]32)([O]=C(O4)C)(OC(=[O]7)C)([OH]C)[OH]C)[N](OCCO1)=Cc1c(c(ccc1)OCC=C)O6.ClC(Cl)Cl |
| Title of publication | Oligometallic Template Strategy for Ring-Closing Olefin Metathesis: Highly Cis- and Trans-Selective Synthesis of a 32-Membered Macrocyclic Tetraoxime |
| Authors of publication | Akine, Shigehisa; Kagiyama, Satoko; Nabeshima, Tatsuya |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 23 |
| Pages of publication | 9525 - 9527 |
| a | 13.35 ± 0.006 Å |
| b | 14.073 ± 0.004 Å |
| c | 14.187 ± 0.004 Å |
| α | 83.293 ± 0.012° |
| β | 68.602 ± 0.015° |
| γ | 70.833 ± 0.014° |
| Cell volume | 2344.1 ± 1.4 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0577 |
| Residual factor for significantly intense reflections | 0.0523 |
| Weighted residual factors for significantly intense reflections | 0.1626 |
| Weighted residual factors for all reflections included in the refinement | 0.1666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4333476.cif |
| 179437 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/34. |
4333476.cif |
| 99040 | 2014-01-30 | cif/ Adding structures of 4333476, 4333477, 4333478 via cif-deposit CGI script. |
4333476.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.