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Information card for entry 7052004
Preview
| Coordinates | 7052004.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | acridine-bromopentafluorobenzene 1/1 |
|---|---|
| Chemical name | acridine-bromopentafluorobenzene 1/1 |
| Formula | C19 H9 Br F5 N |
| Calculated formula | C19 H9 Br F5 N |
| SMILES | Brc1c(F)c(F)c(F)c(F)c1F.n1c2c(cccc2)cc2c1cccc2 |
| Title of publication | A cocrystallisation-based strategy to construct isostructural solids |
| Authors of publication | Cinčić, Dominik; Friščić, Tomislav; Jones, William |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2008 |
| Journal volume | 32 |
| Journal issue | 10 |
| Pages of publication | 1776 |
| a | 17.0193 ± 0.0007 Å |
| b | 7.2045 ± 0.0002 Å |
| c | 14.7399 ± 0.0003 Å |
| α | 90° |
| β | 116.535 ± 0.001° |
| γ | 90° |
| Cell volume | 1616.96 ± 0.09 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0547 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0906 |
| Weighted residual factors for all reflections included in the refinement | 0.0996 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71073 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. |
7052004.cif |
| 180074 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/20. |
7052004.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052004.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052004.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. | 7052004.cif |
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