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Information card for entry 1100584
Preview
| Coordinates | 1100584.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H30 N2 O5 |
|---|---|
| Calculated formula | C24 H30 N2 O5 |
| SMILES | N1C[C@@]2(C[C@](C[C@](C1=O)(C2)C)(C)C(=O)Oc1cc(ccc1)[C@@H]1O[C@H]2[C@@H]1NC(=O)CC2)C.N1C[C@]2(C[C@@](C[C@@](C1=O)(C2)C)(C)C(=O)Oc1cc(ccc1)[C@H]1O[C@@H]2[C@H]1NC(=O)CC2)C |
| Title of publication | High Facial Diastereoselectivity in the Photocycloaddition of a Chiral Aromatic Aldehyde and an Enamide Induced by Intermolecular Hydrogen Bonding |
| Authors of publication | Bach, Thorsten; Bergmann, Hermann; Harms, Klaus |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1999 |
| Journal volume | 121 |
| Pages of publication | 10650 - 10651 |
| a | 8.145 ± 0.001 Å |
| b | 11.17 ± 0.001 Å |
| c | 13.241 ± 0.001 Å |
| α | 105.19 ± 0.01° |
| β | 106.46 ± 0.01° |
| γ | 101.38 ± 0.01° |
| Cell volume | 1065.85 ± 0.18 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0745 |
| Residual factor for significantly intense reflections | 0.0483 |
| Weighted residual factors for significantly intense reflections | 0.1135 |
| Weighted residual factors for all reflections included in the refinement | 0.127 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277831 (current) | 2022-09-14 | cif/1 Added space group information derived from the space group operation list using the 'cif_filter' program. |
1100584.cif |
| 177994 | 2016-03-07 | cif/1/10/ (antanas@kurmis) Updating bibliography for entry 1100584. |
1100584.cif |
| 73160 | 2013-02-12 | Adding a large bunch of SMILES of compounds containing aromatic nitrogen. |
1100584.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1100584.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
1100584.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
1100584.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1100584.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
1100584.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
1100584.cif |
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.
Users of the data should acknowledge the original authors of the
structural data.