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Information card for entry 7151724
Preview
| Coordinates | 7151724.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 O2 |
|---|---|
| Calculated formula | C16 H16 O2 |
| SMILES | O1c2cc(cc(c2Cc2cc(OC)ccc12)C)C |
| Title of publication | Lewis acid-catalysed one pot synthesis of substituted xanthenes. |
| Authors of publication | Böß, Esther; Hillringhaus, Tim; Nitsch, Jacqueline; Klussmann, Martin |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 6 |
| Pages of publication | 1744 - 1748 |
| a | 7.3745 ± 0.0019 Å |
| b | 8.763 ± 0.003 Å |
| c | 10.395 ± 0.002 Å |
| α | 99.79 ± 0.02° |
| β | 110.27 ± 0.02° |
| γ | 98.47 ± 0.03° |
| Cell volume | 605.3 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0618 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.122 |
| Weighted residual factors for all reflections included in the refinement | 0.1339 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276358 (current) | 2022-06-28 | cif/7/15/17/ Removed the '_chemical_name_systematic' and '_chemical_name_common' data items that had incorrect values from entries 7151723-7151724. |
7151724.cif |
| 177134 | 2016-03-03 | cif/7/15/ (antanas@kurmis) Updating author names for entries 7151723, 7151724. |
7151724.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7151724.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151724.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151724.cif |
| 15006 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7151723, 7151724 via cif-deposit CGI script. |
7151724.cif |
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Users of the data should acknowledge the original authors of the
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