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Information card for entry 2018174
Preview
| Coordinates | 2018174.cif |
|---|---|
| Structure factors | 2018174.hkl |
| Original IUCr paper | HTML |
| Chemical name | (4a<i>R</i>,8a<i>S</i>,9a<i>R</i>,10a<i>S</i>)-8a,9a-Difluoro- 1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene-4a,10a-diol hemihydrate |
|---|---|
| Formula | C14 H19 F2 O2.5 |
| Calculated formula | C14 H19 F2 O2.5 |
| Title of publication | (4a<i>R</i>,8a<i>S</i>,9a<i>R</i>,10a<i>S</i>)-8a,9a-Difluoro-1,4,4a,5,8,8a,9,9a,10,10a-decahydroanthracene-4a,10a-diol hemihydrate |
| Authors of publication | Mehta, Goverdhan; Sen, Saikat; Thangam, Meenu |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | o294 - o296 |
| a | 10.812 ± 0.002 Å |
| b | 11.942 ± 0.002 Å |
| c | 10.868 ± 0.002 Å |
| α | 90° |
| β | 102.274 ± 0.003° |
| γ | 90° |
| Cell volume | 1371.2 ± 0.4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 10 |
| Hermann-Mauguin space group symbol | P 1 2/m 1 |
| Hall space group symbol | -P 2y |
| Residual factor for all reflections | 0.0654 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180850 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/81. |
2018174.cif 2018174.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018174.cif 2018174.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018174.cif 2018174.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. | 2018174.cif 2018174.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2018174.cif 2018174.hkl |
| 26959 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2018174 via cif-deposit CGI script. |
2018174.cif |
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Users of the data should acknowledge the original authors of the
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