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Information card for entry 7055123
Preview
| Coordinates | 7055123.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H14 O5 |
|---|---|
| Calculated formula | C15 H14 O5 |
| SMILES | C12=C(C(=O)c3c(C1=O)cccc3)C[C@@H]([C@@](C)(CO)O)O2.C12=C(C(=O)c3c(C1=O)cccc3)C[C@H]([C@](C)(CO)O)O2 |
| Title of publication | Conversion of lapachol to lomatiol: synthesis of novel naphthoquinone derivatives |
| Authors of publication | Eyong, Kenneth O.; Chinthapally, Kiran; Senthilkumar, Soundararasu; Lamshöft, Marc; Folefoc, Gabriel N.; Baskaran, Sundarababu |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 12 |
| Pages of publication | 9611 |
| a | 7.3939 ± 0.0004 Å |
| b | 19.7414 ± 0.0011 Å |
| c | 8.5702 ± 0.0004 Å |
| α | 90° |
| β | 95.998 ± 0.002° |
| γ | 90° |
| Cell volume | 1244.11 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0549 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.1257 |
| Weighted residual factors for all reflections included in the refinement | 0.1364 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7055123.cif |
| 171300 | 2015-12-09 | cif/ Updating files of 7055120, 7055121, 7055122, 7055123 Original log message: Adding full bibliography for 7055120--7055123.cif. |
7055123.cif |
| 158416 | 2015-09-26 | cif/ Adding structures of 7055120, 7055121, 7055122, 7055123 via cif-deposit CGI script. |
7055123.cif |
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Users of the data should acknowledge the original authors of the
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