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Information card for entry 7150781
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| Coordinates | 7150781.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (6E,8E)-methyl 6-(1-methoxy-1-oxopropan-2-ylidene)-7-(4- methoxyphenyl)-1,3,4-triphenyl-8-propylidene-1,2,4,7- tetraazaspiro(4.4)non-2-ene-9-carboxylate |
|---|---|
| Formula | C39 H38 N4 O5 |
| Calculated formula | C39 H38 N4 O5 |
| SMILES | O=C(OC)C(=C1N(C(=C\CC)\[C@@H]([C@]21N(N=C(N2c1ccccc1)c1ccccc1)c1ccccc1)C(=O)OC)c1ccc(OC)cc1)C.O=C(OC)C(=C1N(C(=C\CC)\[C@H]([C@@]21N(N=C(N2c1ccccc1)c1ccccc1)c1ccccc1)C(=O)OC)c1ccc(OC)cc1)C |
| Title of publication | Synthesis of novel synthetic intermediates from the reaction of benzimidazole and triazole carbenes with ketenimines and their application in the construction of spiro-pyrroles |
| Authors of publication | Mo, Jun-Ming; Ma, Yang-Guang; Cheng, Ying |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2009 |
| Journal volume | 7 |
| Journal issue | 23 |
| Pages of publication | 5010 - 5019 |
| a | 11.8253 ± 0.0019 Å |
| b | 18.626 ± 0.003 Å |
| c | 15.232 ± 0.002 Å |
| α | 90° |
| β | 92.81 ± 0.003° |
| γ | 90° |
| Cell volume | 3350.9 ± 0.9 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0632 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1193 |
| Weighted residual factors for all reflections included in the refinement | 0.1289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180293 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/07. |
7150781.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150781.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150781.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150781.cif |
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