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Information card for entry 4024961
Preview
| Coordinates | 4024961.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H23 N O2 |
|---|---|
| Calculated formula | C20 H23 N O2 |
| SMILES | O=C1NC[C@@H]2[C@](O)(c3c1cccc3)[C@@H]1C32C[C@@H]2CC1C[C@H](C3)C2.O=C1NC[C@H]2[C@@](O)(c3c1cccc3)[C@H]1C32C[C@H]2CC1C[C@@H](C3)C2 |
| Title of publication | Photoinitiated Domino Reactions: N-(Adamantyl)phthalimides and N-(Adamantylalkyl)phthalimides |
| Authors of publication | Margareta Horvat; Helmut Görner; Klaus-Dieter Warzecha; Jörg Neudörfl; Axel G. Griesbeck; Kata Mlinarić-Majerski; Nikola Basarić |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Pages of publication | 8219 - 8231 |
| a | 7.3253 ± 0.0007 Å |
| b | 11.185 ± 0.003 Å |
| c | 11.3358 ± 0.0018 Å |
| α | 113.131 ± 0.006° |
| β | 99.921 ± 0.007° |
| γ | 106.091 ± 0.009° |
| Cell volume | 778 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0758 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178428 (current) | 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 4/02/49. |
4024961.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024961.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024961.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. |
4024961.cif |
| 948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4024961.cif |
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