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Information card for entry 7151737
Preview
| Coordinates | 7151737.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C17 H14 O6 |
|---|---|
| Calculated formula | C17 H14 O6 |
| SMILES | C\1(=C/O[C@H]2OC(=O)C(=C2)C)[C@H]2[C@@H](c3ccccc3[C@H]2OC1=O)O.C\1(=C/O[C@@H]2OC(=O)C(=C2)C)[C@@H]2[C@H](c3ccccc3[C@@H]2OC1=O)O |
| Title of publication | Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds. |
| Authors of publication | Malik, Heetika; Kohlen, Wouter; Jamil, Muhammad; Rutjes, Floris P. J. T.; Zwanenburg, Binne |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 7 |
| Pages of publication | 2286 - 2293 |
| a | 8.1223 ± 0.0003 Å |
| b | 7.04 ± 0.0005 Å |
| c | 13.0388 ± 0.0003 Å |
| α | 90° |
| β | 107.502 ± 0.004° |
| γ | 90° |
| Cell volume | 711.06 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0397 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for all reflections | 0.0797 |
| Weighted residual factors for significantly intense reflections | 0.077 |
| Weighted residual factors for all reflections included in the refinement | 0.0797 |
| Goodness-of-fit parameter for all reflections | 1.083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7151737.cif |
| 202017 | 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. |
7151737.cif |
| 180303 | 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 7/15/17. |
7151737.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151737.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151737.cif |
| 21247 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151735, 7151736, 7151737, 7151738 via cif-deposit CGI script. |
7151737.cif |
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Users of the data should acknowledge the original authors of the
structural data.