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Information card for entry 8102082
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| Coordinates | 8102082.cif |
|---|
| Chemical name | dimethyl 2-(tert-butylamino)-5-benzoyl-6-phenyl-4H-pyran-3,4-dicarboxylate |
|---|---|
| Formula | C26 H27 N O6 |
| Calculated formula | C26 H27 N O6 |
| SMILES | O1C(=C(C(C(=C1c1ccccc1)C(=O)c1ccccc1)C(=O)OC)C(=O)OC)NC(C)(C)C |
| Title of publication | Crystal structure of dimethyl 2-(tert-butylamino)-5-benzoyl-6-phenyl- 4H-pyran-3,4-dicarboxylate, C~26~H~27~NO~6~ |
| Authors of publication | Zonouzi, A.; Rahmani, H.; Kamali, A.; Jahangiri, A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 4 |
| Pages of publication | 557 - 558 |
| a | 15.0094 ± 0.0009 Å |
| b | 15.8112 ± 0.001 Å |
| c | 20.0305 ± 0.0012 Å |
| α | 90° |
| β | 102.295 ± 0.01° |
| γ | 90° |
| Cell volume | 4644.5 ± 0.5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0746 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.1279 |
| Weighted residual factors for all reflections included in the refinement | 0.1422 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102082.cif |
| 108008 | 2014-03-26 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102082.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102082.cif |
| 12821 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102082 via cif-deposit CGI script. |
8102082.cif |
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