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Information card for entry 1507067
Preview
| Coordinates | 1507067.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C28 H24 O4 |
|---|---|
| Calculated formula | C28 H24 O4 |
| SMILES | O(c1c(C(=C(\c2c(OC)cccc2)c2c(O)cccc2)/c2c(O)cccc2)cccc1)C |
| Title of publication | Selective syntheses of partially etherified derivatives of tetrakis(2-hydroxyphenyl)ethene. An alternative to the calix[4]arene ligand system. |
| Authors of publication | Fujita, Megumi; Qi, Guizhong; Verkerk, Udo H.; Dzwiniel, Trevor L.; McDonald, Robert; Stryker, Jeffrey M. |
| Journal of publication | Organic letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 16 |
| Pages of publication | 2653 - 2656 |
| a | 10.9757 ± 0.0013 Å |
| b | 15.4466 ± 0.0018 Å |
| c | 13.6421 ± 0.0013 Å |
| α | 90° |
| β | 99.547 ± 0.002° |
| γ | 90° |
| Cell volume | 2280.8 ± 0.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2607 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1331 |
| Weighted residual factors for all reflections included in the refinement | 0.1837 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.771 |
| 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. |
1507067.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. |
1507067.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507067.cif |
| 51652 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1507067, 1507068, 1507069 via cif-deposit CGI script. |
1507067.cif |
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Users of the data should acknowledge the original authors of the
structural data.