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Information card for entry 4028958
Preview
| Coordinates | 4028958.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H20 O3 |
|---|---|
| Calculated formula | C15 H20 O3 |
| SMILES | O1CCOC21C[C@@H]1C=C[C@@]32CC=CC[C@H](O)[C@H]3C1.O1CCOC21C[C@H]1C=C[C@]32CC=CC[C@@H](O)[C@@H]3C1 |
| Title of publication | Diels‒Alder Cycloaddition and Ring-Closing Metathesis: A Versatile, Stereoselective, and General Route to Embellished Bridged Bicyclic Systems, Carbocyclic Framework of Secoatisanes, and Homologues |
| Authors of publication | Singh, Vishwakarma; Sahu, Pramod K.; Sahu, Bharat C.; Mobin, Shaikh M. |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Journal issue | 16 |
| Pages of publication | 6092 - 6104 |
| a | 8.424 ± 0.003 Å |
| b | 23.69 ± 0.05 Å |
| c | 25.474 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5084 ± 11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0992 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0465 |
| Weighted residual factors for all reflections included in the refinement | 0.0526 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.71 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 4024790 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210089 (current) | 2018-08-23 | cif/4/02/ Updating bibliography in entries 4024788-4024791, 4028958. Marking entry 4028958 as a duplicate of entry 4024790. |
4028958.cif |
| 178468 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/89. |
4028958.cif |
| 170212 | 2015-11-09 | cif/4: Fixing some Z values and formulae. |
4028958.cif |
| 99154 | 2014-01-30 | cif/ Adding structures of 4028958 via cif-deposit CGI script. |
4028958.cif |
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