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Information card for entry 7150799
Preview
| Coordinates | 7150799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | Nitro-Bn-iPr-nPr-Ester |
|---|---|
| Formula | C35 H35 N3 O9 |
| Calculated formula | C35 H35 N3 O9 |
| SMILES | O(Cc1ccccc1)c1cc(ccc1N(=O)=O)C(=O)Nc1c(OCCC)cc(C(=O)Nc2c(OC(C)C)cc(cc2)C(=O)OC)cc1 |
| Title of publication | Synthesis of functionalised aromatic oligamide rods |
| Authors of publication | Plante, Jeffrey; Campbell, Fred; Malkova, Barbora; Kilner, Colin; Warriner, Stuart L.; Wilson, Andrew J. |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2008 |
| Journal volume | 6 |
| Journal issue | 1 |
| Pages of publication | 138 - 146 |
| a | 8.068 ± 0.0002 Å |
| b | 10.874 ± 0.0002 Å |
| c | 19.198 ± 0.0005 Å |
| α | 105.27 ± 0.001° |
| β | 98.082 ± 0.001° |
| γ | 98.075 ± 0.001° |
| Cell volume | 1580.65 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0866 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.125 |
| Weighted residual factors for all reflections included in the refinement | 0.1638 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7150799.cif |
| 180293 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/07. |
7150799.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150799.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150799.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7150799.cif |
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