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Information card for entry 7206175
Preview
| Coordinates | 7206175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C11 H10 O2 |
|---|---|
| Calculated formula | C11 H10 O2 |
| SMILES | o1c2c(ccc(c2)C)c(=O)cc1C |
| Title of publication | Use of π‒π forces to steer the assembly of chromone derivatives into hydrogen bonded supramolecular layers: crystal structures and Hirshfeld surface analyses |
| Authors of publication | Seth, Saikat Kumar; Sarkar, Debayan; Kar, Tanusree |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 14 |
| Pages of publication | 4528 |
| a | 7.2934 ± 0.0018 Å |
| b | 13.423 ± 0.003 Å |
| c | 9.151 ± 0.002 Å |
| α | 90° |
| β | 103.183 ± 0.003° |
| γ | 90° |
| Cell volume | 872.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0378 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0952 |
| Weighted residual factors for all reflections included in the refinement | 0.0976 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| 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. |
7206175.cif |
| 180392 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/61. |
7206175.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206175.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206175.cif |
| 23566 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206174, 7206175 via cif-deposit CGI script. |
7206175.cif |
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Users of the data should acknowledge the original authors of the
structural data.