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Information card for entry 4330681
Preview
| Coordinates | 4330681.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C30 H17 As F28 O2 |
|---|---|
| Calculated formula | C30 H17 As F28 O2 |
| SMILES | c12ccccc1C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)O[As]12(c2ccccc2C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)O1)C(C)(C)C |
| Title of publication | Synthesis and Characterization of Antiapicophilic Arsoranes and Related Compounds |
| Authors of publication | Xin-Dong Jiang; Shiro Matsukawa; Satoshi Kojima; Yohsuke Yamamoto |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 10996 - 11006 |
| a | 10.54 ± 0.0001 Å |
| b | 12.104 ± 0.0002 Å |
| c | 16.173 ± 0.0003 Å |
| α | 81.835 ± 0.001° |
| β | 72.973 ± 0.001° |
| γ | 66.741 ± 0.001° |
| Cell volume | 1811.7 ± 0.05 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0483 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1174 |
| Weighted residual factors for all reflections included in the refinement | 0.1378 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.164 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4330681.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4330681.cif |
| 179409 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/06. |
4330681.cif |
| 80136 | 2013-04-06 | cif/ Adding structures of 4330681 via cif-deposit CGI script. |
4330681.cif |
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Users of the data should acknowledge the original authors of the
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