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Information card for entry 7118483
Preview
| Coordinates | 7118483.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 5'-(tert-butyl) 3'-methyl 5,8'-dichloro-1-tosylspiro[indoline-3,4'-pyrrolo[3',4':3,4]cyclopenta[1,2-b]indole]-3',5'(2'H)-dicarboxylate |
|---|---|
| Formula | C34 H29 Cl2 N3 O6 S |
| Calculated formula | C34 H29 Cl2 N3 O6 S |
| SMILES | Cc1ccc(cc1)S(=O)(=O)N1c2ccc(cc2C2(C1)c1c(c3cc(ccc3n1C(=O)OC(C)(C)C)Cl)c1c[nH]c(c21)C(=O)OC)Cl |
| Title of publication | Total syntheses of (±)-spiroindimicins B and C enabled by a late-stage Schöllkopf‒Magnus‒Barton‒Zard (SMBZ) reaction |
| Authors of publication | Blair, Lachlan M.; Sperry, Jonathan |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 4 |
| Pages of publication | 800 - 802 |
| a | 9.468 ± 0.005 Å |
| b | 12.672 ± 0.005 Å |
| c | 14.441 ± 0.005 Å |
| α | 73.289 ± 0.005° |
| β | 72.517 ± 0.005° |
| γ | 76.408 ± 0.005° |
| Cell volume | 1561.7 ± 1.2 Å3 |
| Cell temperature | 372 ± 2 K |
| Ambient diffraction temperature | 372 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0893 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1183 |
| Weighted residual factors for all reflections included in the refinement | 0.1329 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7118180 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209788 (current) | 2018-08-16 | cif/7/11/ Updating bibliography in entries 7118180, 7118483. Marking entry 7118483 as a duplicate of entry 7118180. |
7118483.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7118483.cif |
| 174542 | 2016-01-18 | cif/ Adding structures of 7118483 via cif-deposit CGI script. |
7118483.cif |
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