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Information card for entry 7151429
Preview
| Coordinates | 7151429.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C14 H22 O4 |
|---|---|
| Calculated formula | C14 H22 O4 |
| SMILES | O1[C@]23OO[C@]4(O)[C@@]1(CC[C@@H]3CCCC2)CCCC4.O1[C@@]23OO[C@@]4(O)[C@]1(CC[C@H]3CCCC2)CCCC4 |
| Title of publication | Alkylation of manganese(II) tetraphenylporphyrin by a synthetic antimalarial trioxane |
| Authors of publication | Jean-François Berrien; Olivier Provot; Joëlle Mayrargue; Michel Coquillay; Liliane Cicéron; Frédérick Gay; Martin Danis; Anne Robert; Bernard Meunier |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2003 |
| Journal volume | 1 |
| Journal issue | 16 |
| Pages of publication | 2859 - 2864 |
| a | 21.864 ± 0.009 Å |
| b | 6.091 ± 0.003 Å |
| c | 20.852 ± 0.009 Å |
| α | 90° |
| β | 109.83 ± 0.03° |
| γ | 90° |
| Cell volume | 2612 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1045 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.13 |
| Weighted residual factors for all reflections included in the refinement | 0.1542 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7151429.cif |
| 202017 | 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. |
7151429.cif |
| 180300 | 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 7/15/14. |
7151429.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7151429.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151429.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7151429.cif |
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