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Information card for entry 7150923
Preview
| Coordinates | 7150923.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 11-Hydroxy-4,5-dimethyl-8,13-diaza- tricyclo(7.3.1.02,7)trideca-2(7),3,5,10-tetraene-8,13-tricarboxylic acid trimethyl ester |
|---|---|
| Chemical name | 11-Hydroxy-4,5-dimethyl-8,13-diaza-tricyclo[7.3.1.02,7]trideca-2(7),3,5,10- tetraene-8,13-tricarboxylic acid trimethyl ester |
| Formula | C19 H22 N2 O7 |
| Calculated formula | C19 H22 N2 O7 |
| Title of publication | Synthesis of 3,4-benzo-7-hydroxy-2,9-diazabicyclo[3.3.1]non-7-enes by cyclization of 1,3-bis(silyl enol ethers) with quinazolines |
| Authors of publication | Karapetyan, Vahuni; Mkrtchyan, Satenik; Schmidt, Andreas; Gütlein, Jörg-Peter; Villinger, Alexander; Reinke, Helmut; Jiao, Haijun; Fischer, Christine; Langer, Peter |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2008 |
| Journal volume | 6 |
| Journal issue | 16 |
| Pages of publication | 2961 - 2968 |
| a | 8.1758 ± 0.0016 Å |
| b | 8.9304 ± 0.0018 Å |
| c | 13.714 ± 0.003 Å |
| α | 103.88 ± 0.03° |
| β | 96.73 ± 0.03° |
| γ | 105.83 ± 0.03° |
| Cell volume | 917.1 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0542 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1068 |
| Weighted residual factors for all reflections included in the refinement | 0.1098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180295 (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 7/15/09. |
7150923.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150923.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150923.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7150923.cif |
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