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Information card for entry 4106688
Preview
| Coordinates | 4106688.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H88 N4 O19 V6 |
|---|---|
| Calculated formula | C40 H88 N4 O19 V6 |
| SMILES | C12(C[O]3[V]456([O](C1)[V]178(=O)[O](C2)[V]293(=O)[O]3%1058[V]5(=O)([O]8CC%11(C[O]([V]38(O7)(O9)=O)[V]%10(O1)(O4)([O]5C%11)=O)N)(O2)O6)=O)N.C(CCC)[N+](CCCC)(CCCC)CCCC.C([N+](CCCC)(CCCC)CCCC)CCC |
| Title of publication | Inorganic-Organic Hybrid Vesicles with Counterion- and pH-Controlled Fluorescent Properties |
| Authors of publication | Dong Li; Jie Song; Panchao Yin; Silas Simotwo; Andrew J. Bassler; YuYu Aung; James E. Roberts; Kenneth I. Hardcastle; Craig L. Hill; Tianbo Liu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 14010 - 14016 |
| a | 20.8395 ± 0.0007 Å |
| b | 23.0194 ± 0.0007 Å |
| c | 24.8572 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 11924.3 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 73 |
| Hermann-Mauguin space group symbol | I b c a |
| Hall space group symbol | -I 2b 2c |
| Residual factor for all reflections | 0.0599 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1056 |
| Weighted residual factors for all reflections included in the refinement | 0.1137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4106688.cif |
| 178812 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/66. |
4106688.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106688.cif |
| 53493 | 2012-04-20 | cif/ Adding structures of 4106688 via cif-deposit CGI script. |
4106688.cif |
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Users of the data should acknowledge the original authors of the
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