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Information card for entry 1514218
Preview
| Coordinates | 1514218.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H28 O4 |
|---|---|
| Calculated formula | C28 H28 O4 |
| SMILES | O=C(OC)C([C@H]1[C@@H]([C@H](c2c1cc(cc2)C)c1ccc(cc1)C)c1ccccc1)C(=O)OC.O=C(OC)C([C@@H]1[C@H]([C@@H](c2c1cc(cc2)C)c1ccc(cc1)C)c1ccccc1)C(=O)OC |
| Title of publication | AlCl3-Promoted Formal [2 + 3]-Cycloaddition of 1,1-Cyclopropane Diesters with N-Benzylic Sulfonamides To Construct Highly Stereoselective Indane Derivatives. |
| Authors of publication | Zhu, Mengyun; Liu, Jinqian; Yu, Jianjun; Chen, Liangshun; Zhang, Chunmei; Wang, Limin |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 7 |
| Pages of publication | 1856 - 1859 |
| a | 16.8408 ± 0.001 Å |
| b | 14.2476 ± 0.0008 Å |
| c | 19.6198 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4707.6 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0614 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1118 |
| Weighted residual factors for all reflections included in the refinement | 0.1248 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1514218.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. |
1514218.cif |
| 110605 | 2014-04-19 | cif/ Updating files of 1514218 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-8800/cifs/1514218.cif. |
1514218.cif |
| 108718 | 2014-04-02 | cif/ Adding structures of 1514218 via cif-deposit CGI script. |
1514218.cif |
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Users of the data should acknowledge the original authors of the
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