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Information card for entry 7150862
Preview
| Coordinates | 7150862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C19 H25 B F2 N2 O2 |
|---|---|
| Calculated formula | C19 H25 B F2 N2 O2 |
| SMILES | [B]1(OC(=CC(=[O]1)c1[nH]c(cc1)CCCC)c1[nH]c(cc1)CCCC)(F)F |
| Title of publication | BF2 complexes of α-alkyl-substituted dipyrrolyldiketones as acyclic anion receptors |
| Authors of publication | Maeda, Hiromitsu; Terasaki, Masahiro; Haketa, Yohei; Mihashi, Yuta; Kusunose, Yukio |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2008 |
| Journal volume | 6 |
| Journal issue | 3 |
| Pages of publication | 433 - 436 |
| a | 8.526 ± 0.006 Å |
| b | 12.16 ± 0.006 Å |
| c | 8.797 ± 0.005 Å |
| α | 90° |
| β | 93.64 ± 0.03° |
| γ | 90° |
| Cell volume | 910.2 ± 0.9 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0482 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7150862.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7150862.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150862.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150862.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. | 7150862.cif |
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Users of the data should acknowledge the original authors of the
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