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Information card for entry 1503383
Preview
| Coordinates | 1503383.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C118 H166 F30 N14 O20 |
|---|---|
| Calculated formula | C118 H166 F30 N14 O20 |
| SMILES | Fc1c(C(=O)NCc2c(CNC(=O)c3c(F)c(F)c(F)c(F)c3F)c(CNC(=O)c3c(F)c(F)c(F)c(F)c3F)c(CNC(=O)c3c(F)c(F)c(F)c(F)c3F)c(CNC(=O)c3c(F)c(F)c(F)c(F)c3F)c2CNC(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c1F.O.O=N(=O)[O-].O=N(=O)[O-].O.O=N(=O)[O-].O=N(=O)[O-].[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC |
| Title of publication | Bistripodand amide host for compartmental recognition of multiple oxyanions. |
| Authors of publication | Arunachalam, M.; Ghosh, Pradyut |
| Journal of publication | Organic letters |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 2 |
| Pages of publication | 328 - 331 |
| a | 22.9778 ± 0.0019 Å |
| b | 21.9054 ± 0.0018 Å |
| c | 26.306 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13240.8 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0872 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1507 |
| Weighted residual factors for all reflections included in the refinement | 0.1701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1503383.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1503383.cif |
| 37257 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1503383, 1503384 via cif-deposit CGI script. |
1503383.cif |
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Users of the data should acknowledge the original authors of the
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