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Information card for entry 2231681
Preview
| Coordinates | 2231681.cif |
|---|---|
| Structure factors | 2231681.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(4-Fluorophenyl)-1-(phenylsulfinyl)naphtho[2,1-<i>b</i>]furan |
|---|---|
| Formula | C24 H15 F O2 S |
| Calculated formula | C24 H15 F O2 S |
| SMILES | S(=O)(c1c2c3ccccc3ccc2oc1c1ccc(F)cc1)c1ccccc1 |
| Title of publication | 2-(4-Fluorophenyl)-1-(phenylsulfinyl)naphtho[2,1-<i>b</i>]furan |
| Authors of publication | Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | o2479 |
| a | 7.2853 ± 0.0002 Å |
| b | 10.1619 ± 0.0003 Å |
| c | 12.3137 ± 0.0004 Å |
| α | 103.439 ± 0.002° |
| β | 90.486 ± 0.002° |
| γ | 96.422 ± 0.002° |
| Cell volume | 880.53 ± 0.05 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.049 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.1057 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181238 (current) | 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 2/23/16. |
2231681.cif 2231681.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2231681.cif 2231681.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231681.cif 2231681.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. | 2231681.cif 2231681.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231681.cif 2231681.hkl |
| 27812 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231681 via cif-deposit CGI script. |
2231681.cif |
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Users of the data should acknowledge the original authors of the
structural data.