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Information card for entry 7055110
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| Coordinates | 7055110.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | AzPy2HBF4 |
|---|---|
| Chemical name | AzPy2H_BF4 |
| Formula | C100.5 H71.5 B3 F12 N6 O1.83 |
| Calculated formula | C100.5 H71.5 B3 F12 N6 O1.828 |
| Title of publication | Synthesis and acid‒base properties of a proton-bridged biaryl compound based on pyridylazulene |
| Authors of publication | Ninomiya, Kazuki; Harada, Yumi; Kanetou, Tomoaki; Suenaga, Yuma; Murafuji, Toshihiro; Tsunashima, Ryo |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 12 |
| Pages of publication | 9079 |
| a | 13.677 ± 0.007 Å |
| b | 16.455 ± 0.008 Å |
| c | 19.539 ± 0.008 Å |
| α | 70.956 ± 0.018° |
| β | 76.3 ± 0.02° |
| γ | 87.68 ± 0.02° |
| Cell volume | 4035 ± 3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.1586 |
| Residual factor for significantly intense reflections | 0.1034 |
| Weighted residual factors for significantly intense reflections | 0.2693 |
| Weighted residual factors for all reflections included in the refinement | 0.3137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.314 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7055110.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7055110.cif |
| 171297 | 2015-12-09 | cif/ Updating files of 7055110 Original log message: Adding full bibliography for 7055110.cif. |
7055110.cif |
| 158208 | 2015-09-22 | cif/ Adding structures of 7055110 via cif-deposit CGI script. |
7055110.cif |
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