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Information card for entry 1507840
Preview
| Coordinates | 1507840.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H13 I O5 |
|---|---|
| Calculated formula | C12 H13 I O5 |
| SMILES | [I](=C(C(=O)OC)C(=O)OC)c1c(OC)cccc1 |
| Title of publication | Design, preparation, X-ray crystal structure, and reactivity of o-alkoxyphenyliodonium bis(methoxycarbonyl)methanide, a highly soluble carbene precursor. |
| Authors of publication | Zhu, Chenjie; Yoshimura, Akira; Ji, Lei; Wei, Yunyang; Nemykin, Victor N.; Zhdankin, Viktor V. |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 12 |
| Pages of publication | 3170 - 3173 |
| a | 8.5395 ± 0.0005 Å |
| b | 7.7736 ± 0.0005 Å |
| c | 19.64 ± 0.0013 Å |
| α | 90° |
| β | 90.848 ± 0.006° |
| γ | 90° |
| Cell volume | 1303.61 ± 0.14 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| 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 | 0.0485 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for all reflections | 0.1206 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1206 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0164 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507840.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1507840.cif |
| 113531 | 2014-05-12 | cif/ Updating files of 1507840, 1507841, 1507842 Original log message: Adding full bibliography for 1507840--1507842.cif. |
1507840.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507840.cif |
| 62328 | 2012-07-07 | cif/ Adding structures of 1507840, 1507841, 1507842 via cif-deposit CGI script. |
1507840.cif |
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Users of the data should acknowledge the original authors of the
structural data.