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Information card for entry 1502083
Preview
| Coordinates | 1502083.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H30 N2 O4 |
|---|---|
| Calculated formula | C26 H30 N2 O4 |
| SMILES | N1([C@H]2C[C@]3(C(=C4[C@@](C=C2)(COC4)C1=O)[C@H]1[C@@]23[C@@]3(C=C[C@@H](N(C3=O)C)C[C@H]1C)COC2)C)C.N1([C@@H]2C[C@@]3(C(=C4[C@](C=C2)(COC4)C1=O)[C@@H]1[C@]23[C@]3(C=C[C@H](N(C3=O)C)C[C@@H]1C)COC2)C)C |
| Title of publication | Intramolecular pyridone/enyne photocycloaddition: partitioning of the [4 + 4] and [2 + 2] pathways. |
| Authors of publication | Kulyk, Svitlana; Dougherty, Jr, William G; Kassel, W. Scott; Zdilla, Michael J.; Sieburth, Scott McN |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 9 |
| Pages of publication | 2180 - 2183 |
| a | 12.3469 ± 0.0017 Å |
| b | 20.475 ± 0.003 Å |
| c | 8.4258 ± 0.0011 Å |
| α | 90° |
| β | 90.67 ± 0.004° |
| γ | 90° |
| Cell volume | 2129.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0788 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.1633 |
| Weighted residual factors for all reflections included in the refinement | 0.1729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1502083.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502083.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502083.cif |
| 35409 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502083 via cif-deposit CGI script. |
1502083.cif |
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