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Information card for entry 2239304
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| Coordinates | 2239304.cif |
|---|---|
| Structure factors | 2239304.hkl |
| Original paper (by DOI) | HTML |
| Common name | Ethyl <i>trans</i>-12-(pyridin-4-yl)-9,10-ethanoanthracene-11-carboxylate |
|---|---|
| Formula | C24 H21 N O2 |
| Calculated formula | C24 H21 N O2 |
| SMILES | c12ccccc1C1[C@H]([C@@H](C2c2c1cccc2)C(=O)OCC)c1ccncc1.c12ccccc1C1[C@@H]([C@H](C2c2c1cccc2)C(=O)OCC)c1ccncc1 |
| Title of publication | Ethyl <i>trans</i>-12-(pyridin-4-yl)-9,10-ethanoanthracene-11-carboxylate |
| Authors of publication | Chandrasekar, S.; Sharma Om, Prakash; Srinivasapriyan, V.; SureshKumar, M.; Ramanathan, C. R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o512 |
| a | 10.1733 ± 0.0019 Å |
| b | 11.156 ± 0.002 Å |
| c | 16.361 ± 0.003 Å |
| α | 90° |
| β | 90.877 ± 0.003° |
| γ | 90° |
| Cell volume | 1856.6 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0542 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181893 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239304.cif 2239304.hkl |
| 181312 | 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 2/23/93. |
2239304.cif 2239304.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. |
2239304.cif 2239304.hkl |
| 109245 | 2014-04-10 | cif/ hkl/ Adding structures of 2239304 via cif-deposit CGI script. |
2239304.cif 2239304.hkl |
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