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Information card for entry 1503901
Preview
| Coordinates | 1503901.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H25 Br O4 |
|---|---|
| Calculated formula | C26 H25 Br O4 |
| SMILES | Brc1ccc([C@@H]2[C@H]([C@@H]([C@](O)(c3ccccc3)C2)C(=O)OC)c2ccc(OC)cc2)cc1 |
| Title of publication | Nucleophilic heterocyclic carbene catalyzed annulation of enals to chalcones in methanol: a stereoselective synthesis of highly functionalized cyclopentanes. |
| Authors of publication | Nair, Vijay; Babu, Beneesh P.; Vellalath, Sreekumar; Varghese, Vimal; Raveendran, Anabha E.; Suresh, Eringathodi |
| Journal of publication | Organic letters |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 12 |
| Pages of publication | 2507 - 2510 |
| a | 21.672 ± 0.011 Å |
| b | 6.034 ± 0.003 Å |
| c | 18.445 ± 0.009 Å |
| α | 90° |
| β | 111.168 ± 0.008° |
| γ | 90° |
| Cell volume | 2249.3 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1355 |
| Residual factor for significantly intense reflections | 0.0784 |
| Weighted residual factors for significantly intense reflections | 0.1463 |
| Weighted residual factors for all reflections included in the refinement | 0.1653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288193 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9828. This change affected only the misspelt variants of the '_exptl_absorpt_process_details' data name. |
1503901.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. |
1503901.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503901.cif |
| 39182 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1503901 via cif-deposit CGI script. |
1503901.cif |
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Users of the data should acknowledge the original authors of the
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