Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1507272
Preview
| Coordinates | 1507272.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C44 H10 F20 N4 O2 |
|---|---|
| Calculated formula | C44 H10 F20 N4 O2 |
| SMILES | Fc1c(F)c(F)c(F)c(F)c1C(=O)c1ccc([nH]1)C(=c1ccc(n1)c1ccc(n1)=C(c1ccc([nH]1)C(=O)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
| Title of publication | Easy preparation of cobalt corrole and hexaphyrin and isolation of new oligopyrroles in the solvent-free condensation of pyrrole with pentafluorobenzaldehyde. |
| Authors of publication | Simkhovich, Liliya; Goldberg, Israel; Gross, Zeev |
| Journal of publication | Organic letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 8 |
| Pages of publication | 1241 - 1244 |
| a | 10.344 ± 0.0003 Å |
| b | 13.684 ± 0.0004 Å |
| c | 15.204 ± 0.0005 Å |
| α | 101.462 ± 0.0016° |
| β | 98.328 ± 0.0017° |
| γ | 105.56 ± 0.002° |
| Cell volume | 1986.61 ± 0.11 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1299 |
| Residual factor for significantly intense reflections | 0.0746 |
| Weighted residual factors for significantly intense reflections | 0.1392 |
| Weighted residual factors for all reflections included in the refinement | 0.1709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507272.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. |
1507272.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507272.cif |
| 53781 | 2012-04-20 | cif/ Adding structures of 1507268, 1507269, 1507270, 1507271, 1507272 via cif-deposit CGI script. |
1507272.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.