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Information card for entry 4110127
Preview
| Coordinates | 4110127.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H67 B Cl2 F2 N3 O8 |
|---|---|
| Calculated formula | C46 H67 B Cl2 F2 N3 O8 |
| SMILES | c1c(c(c(cc1c1ccc(C2=CC(c3ccc(c4cc(c(c(c4)OC)OC)OC)[nH]3)=[O][B](O2)(F)F)[nH]1)OC)OC)OC.[Cl-].[N+](CCCC)(CCCC)(CCCC)CCCC.C(CCl)Cl |
| Title of publication | Aryl-Substituted C3-Bridged Oligopyrroles as Anion Receptors for Formation of Supramolecular Organogels |
| Authors of publication | Hiromitsu Maeda; Yohei Haketa; Takashi Nakanishi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 13661 - 13674 |
| a | 12.138 ± 0.003 Å |
| b | 20.055 ± 0.006 Å |
| c | 20.264 ± 0.005 Å |
| α | 85.48 ± 0.011° |
| β | 78.711 ± 0.009° |
| γ | 80.498 ± 0.01° |
| Cell volume | 4765 ± 2 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1712 |
| Residual factor for significantly intense reflections | 0.0816 |
| Weighted residual factors for significantly intense reflections | 0.1919 |
| Weighted residual factors for all reflections included in the refinement | 0.2359 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178872 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/01. |
4110127.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110127.cif |
| 59221 | 2012-06-05 | cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters. |
4110127.cif |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4110127.cif |
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Users of the data should acknowledge the original authors of the
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