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Information card for entry 2232350
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| Coordinates | 2232350.cif |
|---|---|
| Structure factors | 2232350.hkl |
| Original IUCr paper | HTML |
| Chemical name | (1<i>R</i>,2<i>S</i>)-Methyl 1-(4-chlorophenyl)-3-oxo-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole-2- carboxylate 0.2-hydrate |
|---|---|
| Formula | C19 H14.4 Cl N O3.2 |
| Calculated formula | C19 H14 Cl N O3.2 |
| Title of publication | (1<i>R</i>,2<i>S</i>)-Methyl 1-(4-chlorophenyl)-3-oxo-1,2,3,4-tetrahydrocyclopenta[<i>b</i>]indole-2-carboxylate 0.2-hydrate |
| Authors of publication | Raja, Sadiya; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | o2991 |
| a | 73.342 ± 0.004 Å |
| b | 9.6065 ± 0.0004 Å |
| c | 11.8737 ± 0.0007 Å |
| α | 90° |
| β | 92.432 ± 0.004° |
| γ | 90° |
| Cell volume | 8358.2 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0774 |
| Residual factor for significantly intense reflections | 0.0552 |
| Weighted residual factors for significantly intense reflections | 0.1353 |
| Weighted residual factors for all reflections included in the refinement | 0.1443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181245 (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 2/23/23. |
2232350.cif 2232350.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2232350.cif 2232350.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232350.cif 2232350.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. | 2232350.cif 2232350.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232350.cif 2232350.hkl |
| 31005 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232350 via cif-deposit CGI script. |
2232350.cif |
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Users of the data should acknowledge the original authors of the
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