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Information card for entry 2243577
Preview
| Coordinates | 2243577.cif |
|---|---|
| Structure factors | 2243577.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (1'<i>S</i>,2'<i>S</i>,3<i>S</i>)-1'-Benzoyl-2'-(4-methoxyphenyl)-1-methyl-2',5',6',10b'-tetrahydro-1'<i>H</i>-spiro[indoline-3,3'-pyrrolo[2,1-<i>a</i>]isoquinolin]-2-one |
|---|---|
| Formula | C34 H30 N2 O3 |
| Calculated formula | C34 H30 N2 O3 |
| Title of publication | Crystal structure of (1'<i>S</i>,2'<i>S</i>,3<i>S</i>)-1'-benzoyl-2'-(4-methoxyphenyl)-1-methyl-2',5',6',10b'-tetrahydro-1'<i>H</i>-spiro[indoline-3,3'-pyrrolo[2,1-<i>a</i>]isoquinolin]-2-one |
| Authors of publication | Selvaraj, Janet Priyavathani; Mary, Stella; Dhruba, Jyoti Boruah; Huidrom, Birkumar Singh; Panneerselvam, Yuvaraj; Piskala Subburaman, Kannan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 10 |
| Pages of publication | 1548 - 1550 |
| a | 9.5632 ± 0.0001 Å |
| b | 17.8067 ± 0.0003 Å |
| c | 16.1958 ± 0.0003 Å |
| α | 90° |
| β | 103.463 ± 0.001° |
| γ | 90° |
| Cell volume | 2682.18 ± 0.07 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.0714 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.1275 |
| Weighted residual factors for all reflections included in the refinement | 0.1443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2243577.cif 2243577.hkl |
| 255923 | 2020-09-05 | cif/ hkl/ Adding structures of 2243577 via cif-deposit CGI script. |
2243577.cif 2243577.hkl |
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Users of the data should acknowledge the original authors of the
structural data.