Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1507841
Preview
| Coordinates | 1507841.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H21 O4 P |
|---|---|
| Calculated formula | C23 H21 O4 P |
| SMILES | P(c1ccccc1)(c1ccccc1)(c1ccccc1)=C(C(=O)OC)C(=O)OC |
| 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 | 9.3953 ± 0.0005 Å |
| b | 10.2384 ± 0.0005 Å |
| c | 10.6318 ± 0.0007 Å |
| α | 95.355 ± 0.007° |
| β | 92.172 ± 0.007° |
| γ | 109.933 ± 0.008° |
| Cell volume | 954.58 ± 0.11 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 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 | 0.0603 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for all reflections | 0.1062 |
| Weighted residual factors for significantly intense reflections | 0.0908 |
| Weighted residual factors for all reflections included in the refinement | 0.1062 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0697 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507841.cif |
| 201954 | 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. |
1507841.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. |
1507841.cif |
| 113531 | 2014-05-12 | cif/ Updating files of 1507840, 1507841, 1507842 Original log message: Adding full bibliography for 1507840--1507842.cif. |
1507841.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507841.cif |
| 62328 | 2012-07-07 | cif/ Adding structures of 1507840, 1507841, 1507842 via cif-deposit CGI script. |
1507841.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.