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Information card for entry 1505291
Preview
| Coordinates | 1505291.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H54 B2 F8 N6 O12 |
|---|---|
| Calculated formula | C42 H54 B2 F8 N6 O12 |
| Title of publication | New bis(benzimidazole) cations for threading through dibenzo-24-crown-8. |
| Authors of publication | Li, Liwei; Clarkson, Guy J. |
| Journal of publication | Organic letters |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 3 |
| Pages of publication | 497 - 500 |
| a | 8.8787 ± 0.0016 Å |
| b | 11.0339 ± 0.0013 Å |
| c | 12.038 ± 0.002 Å |
| α | 81.477 ± 0.012° |
| β | 79.33 ± 0.015° |
| γ | 77.735 ± 0.012° |
| Cell volume | 1125.2 ± 0.3 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0889 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1653 |
| Weighted residual factors for all reflections included in the refinement | 0.1736 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1505291.cif |
| 176729 | 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. |
1505291.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505291.cif |
| 45489 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505285, 1505286, 1505287, 1505288, 1505289, 1505290, 1505291 via cif-deposit CGI script. |
1505291.cif |
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Users of the data should acknowledge the original authors of the
structural data.