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Information card for entry 4507423
Preview
| Coordinates | 4507423.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound 7d |
|---|---|
| Chemical name | syn-4-Hydroxy-12-phenyl-2,3-benzo-8,13-dioxa-1,11-diazatetracyclo [7.7.01,9.0^5,9^.0^11,15^]hexadeca-2,6-diene-10,16-dione |
| Formula | C22 H18 N2 O5 |
| Calculated formula | C22 H18 N2 O5 |
| SMILES | O=C1N2c3ccccc3[C@@H](O)[C@@H]3[C@]2(OC=C3)C(=O)N2[C@@H](OC[C@H]12)c1ccccc1 |
| Title of publication | Photoassisted Access to Enantiopure Conformationally Locked Ribofuranosylamines Spiro-Linked to Oxazolidino-Diketopiperazines. |
| Authors of publication | Nandurkar, Nitin S.; Kumar, N. N. Bhuvan; Mukhina, Olga A.; Kutateladze, Andrei G. |
| Journal of publication | ACS Combinatorial Science |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 1 |
| Pages of publication | 73 |
| a | 7.2733 ± 0.0002 Å |
| b | 11.3442 ± 0.0004 Å |
| c | 22.914 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1890.63 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0637 |
| Residual factor for significantly intense reflections | 0.0449 |
| Weighted residual factors for significantly intense reflections | 0.1073 |
| Weighted residual factors for all reflections included in the refinement | 0.1173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179610 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/74. |
4507423.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4507423.cif |
| 73969 | 2013-02-21 | cif/ Adding structures of 4507419, 4507420, 4507421, 4507422, 4507423, 4507424, 4507425, 4507426, 4507427 via cif-deposit CGI script. |
4507423.cif |
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