Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7023175
Preview
| Coordinates | 7023175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H80 I In N2 O2 |
|---|---|
| Calculated formula | C54 H80 I In N2 O2 |
| SMILES | [In]12(I)(OC3=C([C@H](C(=CC3=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C)C(C)(C)C)OC1=C([C@@H](C(=CC1=[N]2c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C)C(C)(C)C.[In]12(I)(OC3=C([C@@H](C(=CC3=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C)C(C)(C)C)OC1=C([C@H](C(=CC1=[N]2c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C)C(C)(C)C |
| Title of publication | The new C-C bond formation in the reaction of o-amidophenolate indium(III) complex with alkyl iodides. |
| Authors of publication | Piskunov, Alexandr V.; Meshcheryakova, Irina N.; Fukin, Georgy K.; Shavyrin, Andrei S.; Cherkasov, Vladimir K.; Abakumov, Gleb A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 29 |
| Pages of publication | 10533 - 10539 |
| a | 10.4639 ± 0.0019 Å |
| b | 12.638 ± 0.002 Å |
| c | 22.385 ± 0.004 Å |
| α | 74.287 ± 0.003° |
| β | 78.611 ± 0.002° |
| γ | 72.322 ± 0.002° |
| Cell volume | 2693.6 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1098 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1338 |
| Weighted residual factors for all reflections included in the refinement | 0.1471 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.943 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179936 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/31. |
7023175.cif |
| 90457 | 2013-11-17 | cif/ Adding structures of 7023174, 7023175, 7023176 via cif-deposit CGI script. |
7023175.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.