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Information card for entry 7151813
Preview
| Coordinates | 7151813.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C18 H17 N O |
|---|---|
| Calculated formula | C18 H17 N O |
| SMILES | c12c(OC(C=C2)(C)C)c(cc2c3ccccc3[nH]c12)C |
| Title of publication | Efficient iron-mediated approach to pyrano[3,2-a]carbazole alkaloids‒first total syntheses of O-methylmurrayamine A and 7-methoxymurrayacine, first asymmetric synthesis and assignment of the absolute configuration of (-)-trans-dihydroxygirinimbine. |
| Authors of publication | Gruner, Konstanze K.; Hopfmann, Thomas; Matsumoto, Kazuhiro; Jäger, Anne; Katsuki, Tsutomu; Knölker, Hans-Joachim |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 7 |
| Pages of publication | 2057 - 2061 |
| a | 11.96 ± 0.002 Å |
| b | 16.344 ± 0.003 Å |
| c | 7.655 ± 0.002 Å |
| α | 90° |
| β | 109.03 ± 0.03° |
| γ | 90° |
| Cell volume | 1414.6 ± 0.6 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0593 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0747 |
| Weighted residual factors for all reflections included in the refinement | 0.0811 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 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. |
7151813.cif |
| 180304 | 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 7/15/18. |
7151813.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151813.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151813.cif |
| 21277 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151813 via cif-deposit CGI script. |
7151813.cif |
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