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Information card for entry 7150892
Preview
| Coordinates | 7150892.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H49 Cl N6 O2 |
|---|---|
| Calculated formula | C40 H49 Cl N6 O2 |
| SMILES | c1(ccc2c(c1)nc1c(c3c4ccccc4[nH]c3c3c1c1c(cccc1)[nH]3)n2)N(=O)=O.C(CCC)[N+](CCCC)(CCCC)CCCC.[Cl-] |
| Title of publication | Synthesis and characterization of indolocarbazole-quinoxalines with flat rigid structure for sensing fluoride and acetate anions |
| Authors of publication | Wang, Ting; Bai, Yu; Ma, Liang; Yan, Xiu-Ping |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2008 |
| Journal volume | 6 |
| Journal issue | 10 |
| Pages of publication | 1751 - 1755 |
| a | 10.0553 ± 0.0019 Å |
| b | 13.715 ± 0.002 Å |
| c | 15.384 ± 0.003 Å |
| α | 64.024 ± 0.007° |
| β | 80.245 ± 0.012° |
| γ | 70.714 ± 0.01° |
| Cell volume | 1799.5 ± 0.6 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.0756 |
| Residual factor for significantly intense reflections | 0.0609 |
| Weighted residual factors for significantly intense reflections | 0.16 |
| Weighted residual factors for all reflections included in the refinement | 0.1702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180294 (current) | 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 7/15/08. |
7150892.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
7150892.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150892.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7150892.cif |
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Users of the data should acknowledge the original authors of the
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