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Information card for entry 2240280
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| Coordinates | 2240280.cif |
|---|---|
| Structure factors | 2240280.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2-(1,3-Dioxoindan-2-yl)isoquinoline-1,3,4-trione |
|---|---|
| Formula | C18 H9 N O5 |
| Calculated formula | C18 H9 N O5 |
| SMILES | O=C1N(C(=O)c2c(C1=O)cccc2)C1C(=O)c2ccccc2C1=O |
| Title of publication | Crystal structure of 2-(1,3-dioxoindan-2-yl)isoquinoline-1,3,4-trione |
| Authors of publication | Ghalib, Raza Murad; Chidan Kumar, C. S.; Hashim, Rokiah; Sulaiman, Othman; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | o6 - o7 |
| a | 12.608 ± 0.0001 Å |
| b | 13.6849 ± 0.0002 Å |
| c | 8.4467 ± 0.0001 Å |
| α | 90° |
| β | 102.051 ± 0.001° |
| γ | 90° |
| Cell volume | 1425.27 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.036 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181902 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240280.cif 2240280.hkl |
| 181322 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/02. |
2240280.cif 2240280.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240280.cif 2240280.hkl |
| 128715 | 2014-12-14 | cif/ hkl/ Adding structures of 2240280 via cif-deposit CGI script. |
2240280.cif 2240280.hkl |
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