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Information card for entry 1542887
Preview
| Coordinates | 1542887.cif |
|---|---|
| Structure factors | 1542887.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1-Benzyl-5-methylindoline-2,3-dione |
|---|---|
| Formula | C16 H13 N O2 |
| Calculated formula | C16 H13 N O2 |
| SMILES | N1(c2ccc(cc2C(=O)C1=O)C)Cc1ccccc1 |
| Title of publication | 1-Benzyl-5-methylindoline-2,3-dione |
| Authors of publication | Sharmila, N.; Sundar, T. V.; Satish, G.; Venkatesan, P. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 3 |
| Pages of publication | x160381 |
| a | 14.6122 ± 0.0015 Å |
| b | 8.3882 ± 0.0009 Å |
| c | 20.911 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2563.1 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1172 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1275 |
| Weighted residual factors for all reflections included in the refinement | 0.1638 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542887.cif 1542887.hkl |
| 178214 | 2016-03-15 | cif/ hkl/ Adding structures of 1542887 via cif-deposit CGI script. |
1542887.cif 1542887.hkl |
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Users of the data should acknowledge the original authors of the
structural data.