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Information card for entry 1505235
Preview
| Coordinates | 1505235.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | (3-phenyl-1H-indene)-1-spiro-3'-(indolin-2'-one) |
|---|---|
| Formula | C22 H15 N O |
| Calculated formula | C22 H15 N O |
| SMILES | O=C1Nc2c(C31c1c(cccc1)C(=C3)c1ccccc1)cccc2 |
| 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 | 12.2411 ± 0.0009 Å |
| b | 8.0506 ± 0.0006 Å |
| c | 16.9934 ± 0.0012 Å |
| α | 90° |
| β | 97.352 ± 0.001° |
| γ | 90° |
| Cell volume | 1660.9 ± 0.2 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.051 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1104 |
| Weighted residual factors for all reflections included in the refinement | 0.117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| 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. |
1505235.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1505235.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. |
1505235.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505235.cif |
| 45444 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505235, 1505236, 1505237, 1505238 via cif-deposit CGI script. |
1505235.cif |
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Users of the data should acknowledge the original authors of the
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