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Information card for entry 2232868
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| Coordinates | 2232868.cif |
|---|---|
| Structure factors | 2232868.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1<i>R</i>*,5<i>S</i>*)-8-(2-Fluoro-4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3- one |
|---|---|
| Formula | C13 H13 F N2 O3 |
| Calculated formula | C13 H13 F N2 O3 |
| Title of publication | (1<i>R</i>*,5<i>S</i>*)-8-(2-Fluoro-4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-one |
| Authors of publication | Yang, Tao; Yang, Jianzhong; Li, Zicheng; Luo, Youfu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | o3297 |
| a | 7.203 ± 0.0003 Å |
| b | 11.3097 ± 0.0004 Å |
| c | 14.8372 ± 0.0006 Å |
| α | 90° |
| β | 97.391 ± 0.004° |
| γ | 90° |
| Cell volume | 1198.65 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 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 | 0.0687 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.1127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181250 (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 2/23/28. |
2232868.cif 2232868.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. |
2232868.cif 2232868.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232868.cif 2232868.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. | 2232868.cif 2232868.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232868.cif 2232868.hkl |
| 31750 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232868 via cif-deposit CGI script. |
2232868.cif |
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Users of the data should acknowledge the original authors of the
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