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Information card for entry 7127894
Preview
| Coordinates | 7127894.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 5,10-bis(p-trifluoromethylphenyl)-1,14-dibenzylaminotripyrrin |
|---|---|
| Formula | C84 H62 F12 N10 |
| Calculated formula | C84 H62 F12 N10 |
| Title of publication | Single- and double-helices of α,α'-dibenzylaminotripyrrin: solution and solid state studies. |
| Authors of publication | Ueta, Kento; Umetani, Masataka; Osuka, Atsuhiro; Pantoş, G Dan; Tanaka, Takayuki |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 21 |
| Pages of publication | 2617 - 2620 |
| a | 28.0551 ± 0.0004 Å |
| b | 17.812 ± 0.0002 Å |
| c | 28.6373 ± 0.0004 Å |
| α | 90° |
| β | 104.597 ± 0.002° |
| γ | 90° |
| Cell volume | 13848.6 ± 0.3 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0703 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1486 |
| Weighted residual factors for all reflections included in the refinement | 0.1606 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263663 (current) | 2021-04-05 | cif/ Updating files of 7127894 Original log message: Adding full bibliography for 7127894.cif. |
7127894.cif |
| 261372 | 2021-02-03 | cif/ Adding structures of 7127894 via cif-deposit CGI script. |
7127894.cif |
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Users of the data should acknowledge the original authors of the
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