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Information card for entry 7150778
Preview
| Coordinates | 7150778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | (E)-ethyl 2'-(1-methoxy-1-oxopropan-2-ylidene)-1,3-bis(4- methylbenzyl)-1'-phenyl-1,1',2',3-tetrahydrospiro(benzo(d)imidazole- 2,3'-pyrrole)-4'-carboxylate |
|---|---|
| Formula | C39 H39 N3 O4 |
| Calculated formula | C39 H39 N3 O4 |
| SMILES | O=C(OC)C(=C1\N(C=C(C21N(c1ccccc1N2Cc1ccc(cc1)C)Cc1ccc(cc1)C)C(=O)OCC)c1ccccc1)\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 | 9.9376 ± 0.001 Å |
| b | 13.3618 ± 0.0014 Å |
| c | 14.33 ± 0.0016 Å |
| α | 68.67 ± 0.008° |
| β | 73.901 ± 0.009° |
| γ | 72.586 ± 0.008° |
| Cell volume | 1660.6 ± 0.3 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.1009 |
| Residual factor for significantly intense reflections | 0.0764 |
| Weighted residual factors for significantly intense reflections | 0.2208 |
| Weighted residual factors for all reflections included in the refinement | 0.2439 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7150778.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. |
7150778.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150778.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150778.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7150778.cif |
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