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Information card for entry 2233320
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| Coordinates | 2233320.cif |
|---|---|
| Structure factors | 2233320.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 1-Hydroxy-11<i>H</i>-benzo[<i>b</i>]fluoren-11-one |
|---|---|
| Formula | C17 H10 O2 |
| Calculated formula | C17 H10 O2 |
| SMILES | O=C1c2cc3ccccc3cc2c2cccc(O)c12 |
| Title of publication | 1-Hydroxy-11<i>H</i>-benzo[<i>b</i>]fluoren-11-one |
| Authors of publication | Chen, Kew-Yu; Chang, Ming-Jen; Fang, Tzu-Chien |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o16 |
| a | 12.474 ± 0.002 Å |
| b | 6.4401 ± 0.0012 Å |
| c | 15.601 ± 0.003 Å |
| α | 90° |
| β | 109.188 ± 0.003° |
| γ | 90° |
| Cell volume | 1183.7 ± 0.4 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 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 | 0.0955 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1216 |
| Weighted residual factors for all reflections included in the refinement | 0.1526 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2233320.cif 2233320.hkl |
| 181255 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/33. |
2233320.cif 2233320.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2233320.cif 2233320.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233320.cif 2233320.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. | 2233320.cif 2233320.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233320.cif 2233320.hkl |
| 32386 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233320 via cif-deposit CGI script. |
2233320.cif |
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Users of the data should acknowledge the original authors of the
structural data.