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Information card for entry 7150782
Preview
| Coordinates | 7150782.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | (R,E)-methyl 6-(1-methoxy-1-oxopropan-2-ylidene)-7-(4- methoxyphenyl)-1,3,4-triphenyl-8-propyl-1,2,4,7-tetraazaspiro(4.4)nona- 2,8-diene-9-carboxylate |
|---|---|
| Formula | C39 H38 N4 O5 |
| Calculated formula | C39 H38 N4 O5 |
| SMILES | O=C(OC)/C(=C\1N(c2ccc(OC)cc2)C(=C(C21N(N=C(N2c1ccccc1)c1ccccc1)c1ccccc1)C(=O)OC)CCC)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 | 9.2415 ± 0.0009 Å |
| b | 20.801 ± 0.002 Å |
| c | 17.049 ± 0.0016 Å |
| α | 90° |
| β | 92.631 ± 0.004° |
| γ | 90° |
| Cell volume | 3273.9 ± 0.5 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0596 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| Weighted residual factors for all reflections included in the refinement | 0.118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7150782.cif |
| 180293 | 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. |
7150782.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150782.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150782.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150782.cif |
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