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Information card for entry 4511633
Preview
| Coordinates | 4511633.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C99 H144 Br2 N4 O31 |
|---|---|
| Calculated formula | C99 H130 Br2 N4 O31 |
| Title of publication | Solvent-Modulated Formation of “Pac-man” and Capsular Host‒Guest Bilayers from a Dicationic Ionic Liquid andC-Butylpyrogallol[4]arene |
| Authors of publication | Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Baker, Gary A.; Atwood, Jerry L. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 4199 |
| a | 44.5094 ± 0.0015 Å |
| b | 12.9169 ± 0.0004 Å |
| c | 17.9977 ± 0.0006 Å |
| α | 90° |
| β | 108.483 ± 0.002° |
| γ | 90° |
| Cell volume | 9813.6 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1061 |
| Residual factor for significantly intense reflections | 0.0884 |
| Weighted residual factors for significantly intense reflections | 0.2436 |
| Weighted residual factors for all reflections included in the refinement | 0.2636 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179663 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/16. |
4511633.cif |
| 122819 | 2014-09-06 | cif/ Updating files of 4511632, 4511633, 4511634 Original log message: Adding full bibliography for 4511632--4511634.cif. |
4511633.cif |
| 120444 | 2014-07-16 | cif/ Adding structures of 4511632, 4511633, 4511634 via cif-deposit CGI script. |
4511633.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.