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Information card for entry 2238438
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| Coordinates | 2238438.cif |
|---|---|
| Structure factors | 2238438.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5''-(2-Fluorobenzylidene)-1'-(2-fluorophenyl)-1''-methyl-1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine-2',3''-piperidine]-2,4''(1<i>H</i>)-dione |
|---|---|
| Formula | C37 H32 F2 N2 O2 |
| Calculated formula | C37 H32 F2 N2 O2 |
| SMILES | CN1C/C(=C\c2ccccc2F)C(=O)[C@]2(C1)[C@@H](c1ccccc1F)[C@H]1N([C@@]32c2cccc4c2c(C3=O)ccc4)CCCC1.CN1C/C(=C\c2ccccc2F)C(=O)[C@@]2(C1)[C@H](c1ccccc1F)[C@@H]1N([C@]32c2cccc4c2c(C3=O)ccc4)CCCC1 |
| Title of publication | 5''-(2-Fluorobenzylidene)-1'-(2-fluorophenyl)-1''-methyl-1',2',3',5',6',7',8',8a'-octahydrodispiro[acenaphthylene-1,3'-indolizine-2',3''-piperidine]-2,4''(1<i>H</i>)-dione |
| Authors of publication | Vishnupriya, R.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1291 - o1292 |
| a | 8.5161 ± 0.0003 Å |
| b | 16.8176 ± 0.0006 Å |
| c | 20.5195 ± 0.0006 Å |
| α | 90° |
| β | 99.845 ± 0.002° |
| γ | 90° |
| Cell volume | 2895.53 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0719 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.131 |
| Weighted residual factors for all reflections included in the refinement | 0.146 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181306 (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 2/23/84. |
2238438.cif 2238438.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. |
2238438.cif 2238438.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238438.cif 2238438.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238438.cif 2238438.hkl |
| 88296 | 2013-09-04 | cif/ Adding structures of 2238438 via cif-deposit CGI script. |
2238438.cif |
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