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Information card for entry 1505237
Preview
| Coordinates | 1505237.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (3-Phenyl-1H-indene)-1-spiro-3'-(1'-ethylindolin-2'-one) |
|---|---|
| Formula | C24 H19 N O |
| Calculated formula | C24 H19 N O |
| SMILES | O=C1N(c2c(C31c1c(cccc1)C(=C3)c1ccccc1)cccc2)CC |
| Title of publication | Simple and one-pot protocol for synthesis of indene-spiro-oxindoles involving tandem Prins and Friedel-Crafts reactions. |
| Authors of publication | Basavaiah, Deevi; Reddy, Kanumuri Ramesh |
| Journal of publication | Organic letters |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 1 |
| Pages of publication | 57 - 60 |
| a | 12.038 ± 0.002 Å |
| b | 12.112 ± 0.002 Å |
| c | 14.089 ± 0.002 Å |
| α | 90° |
| β | 114.892 ± 0.003° |
| γ | 90° |
| Cell volume | 1863.4 ± 0.5 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0822 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1277 |
| Weighted residual factors for all reflections included in the refinement | 0.1397 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1505237.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505237.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505237.cif |
| 45444 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505235, 1505236, 1505237, 1505238 via cif-deposit CGI script. |
1505237.cif |
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