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Information card for entry 2019766
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| Coordinates | 2019766.cif |
|---|---|
| Structure factors | 2019766.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1-Phenylindolin-2-one |
|---|---|
| Formula | C14 H11 N O |
| Calculated formula | C14 H11 N O |
| SMILES | O=C1N(c2c(cccc2)C1)c1ccccc1 |
| Title of publication | Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries |
| Authors of publication | Wang, Lei; Zhang, Man; Jin, Ying-Ying; Lu, Qing; Fang, Qi |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| a | 13.4478 ± 0.0002 Å |
| b | 7.9458 ± 0.0001 Å |
| c | 19.7535 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2110.73 ± 0.05 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 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 | 0.046 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1161 |
| Weighted residual factors for all reflections included in the refinement | 0.1214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2019766.cif 2019766.hkl |
| 181867 | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/97. |
2019766.cif 2019766.hkl |
| 180865 | 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 2/01/97. |
2019766.cif 2019766.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. |
2019766.cif 2019766.hkl |
| 128701 | 2014-12-14 | cif/ hkl/ Adding structures of 2019766, 2019767, 2019768 via cif-deposit CGI script. |
2019766.cif 2019766.hkl |
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Users of the data should acknowledge the original authors of the
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