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Information card for entry 2019857
Preview
| Coordinates | 2019857.cif |
|---|---|
| Structure factors | 2019857.hkl |
| Original IUCr paper | HTML |
| Common name | 20-(Naphthalen-1-yl)-19-oxa-8,17-diazapentacyclo[8.7.3.0^1,10^.0^2,7^.0^12,17^]icosa-2(7),3,5-triene-9,18-dione |
|---|---|
| Chemical name | 15-(Naphthalen-1-yl)-7,7a,8,9,10,11-hexahydro-6a,12a-(methanoepoxymethano)indolizino[2,3-<i>c</i>]quinoline-6,13(5<i>H</i>)-dione |
| Formula | C27 H24 N2 O3 |
| Calculated formula | C27 H24 N2 O3 |
| SMILES | N1c2c([C@@]34N5[C@H](C[C@]3(C1=O)[C@@H](OC4=O)c1c3ccccc3ccc1)CCCC5)cccc2.N1c2c([C@]34N5[C@@H](C[C@@]3(C1=O)[C@H](OC4=O)c1c3ccccc3ccc1)CCCC5)cccc2 |
| Title of publication | Crystal structure of 15-(naphthalen-1-yl)-7,7a,8,9,10,11-hexahydro-6a,12a-(methanoepoxymethano)indolizino[2,3-c]quinoline-6,13(5H)-dione |
| Authors of publication | Savithri, M. P.; Suresh, M.; Raghunathan, R.; Raja, R.; SubbiahPandi, A. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | o150 |
| a | 9.4184 ± 0.0003 Å |
| b | 9.8804 ± 0.0004 Å |
| c | 12.5401 ± 0.0005 Å |
| α | 95.341 ± 0.002° |
| β | 107.535 ± 0.002° |
| γ | 99.94 ± 0.002° |
| Cell volume | 1082.87 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1146 |
| Weighted residual factors for all reflections included in the refinement | 0.1573 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.872 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019857.cif 2019857.hkl |
| 180866 | 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 2/01/98. |
2019857.cif 2019857.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. |
2019857.cif 2019857.hkl |
| 131565 | 2015-02-08 | cif/ hkl/ Adding structures of 2019857 via cif-deposit CGI script. |
2019857.cif 2019857.hkl |
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Users of the data should acknowledge the original authors of the
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