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Information card for entry 2228943
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| Coordinates | 2228943.cif |
|---|---|
| Structure factors | 2228943.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Bromo-3-hydroxy-3-(4-hydroxy-2-oxo-2<i>H</i>-chromen-3-yl)indolin-2-one |
|---|---|
| Formula | C17 H10 Br N O5 |
| Calculated formula | C17 H10 Br N O5 |
| SMILES | Brc1c2C(O)(C(=O)Nc2ccc1)c1c(=O)oc2c(c1O)cccc2 |
| Title of publication | 4-Bromo-3-hydroxy-3-(4-hydroxy-2-oxo-2<i>H</i>-chromen-3-yl)indolin-2-one |
| Authors of publication | Zhu, Song-Lei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | o307 |
| a | 11.358 ± 0.003 Å |
| b | 13.428 ± 0.003 Å |
| c | 10.36 ± 0.002 Å |
| α | 90° |
| β | 113.307 ± 0.003° |
| γ | 90° |
| Cell volume | 1451.1 ± 0.6 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0258 |
| Residual factor for significantly intense reflections | 0.0243 |
| Weighted residual factors for significantly intense reflections | 0.0578 |
| Weighted residual factors for all reflections included in the refinement | 0.0587 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181210 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/89. |
2228943.cif 2228943.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228943.cif 2228943.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228943.cif 2228943.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228943.cif 2228943.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228943.cif 2228943.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2228943.cif 2228943.hkl |
| 11959 | 2011-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2228943 via cif-deposit CGI script. |
2228943.cif |
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Users of the data should acknowledge the original authors of the
structural data.