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Information card for entry 1504637
Preview
| Coordinates | 1504637.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | none |
|---|---|
| Chemical name | OUR CODE NAME = 3a.(DMF)2 |
| Formula | C24 H16 F3 N O7 |
| Calculated formula | C24 H16 F3 N O7 |
| Title of publication | Inclusion and gelation properties of novel tetra- and hexasalicylide derivatives. |
| Authors of publication | Tanaka, Koichi; Hayashi, Satoshi; Caira, Mino R. |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 11 |
| Pages of publication | 2119 - 2122 |
| a | 9.5721 ± 0.0007 Å |
| b | 10.0848 ± 0.0007 Å |
| c | 12.5819 ± 0.0006 Å |
| α | 69.849 ± 0.004° |
| β | 73.108 ± 0.004° |
| γ | 75.513 ± 0.004° |
| Cell volume | 1075.69 ± 0.12 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 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 | 0.0564 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0885 |
| Weighted residual factors for all reflections included in the refinement | 0.0979 |
| 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 |
|---|---|---|---|
| 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. |
1504637.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. |
1504637.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504637.cif |
| 42242 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504637 via cif-deposit CGI script. |
1504637.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.