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Information card for entry 1543836
Preview
| Coordinates | 1543836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H13 F5 N2 |
|---|---|
| Calculated formula | C17 H13 F5 N2 |
| SMILES | c1ccc(n1C)C(c1cccn1C)c1c(c(c(c(c1F)F)F)F)F |
| Title of publication | Doubly N-Methylated Porphyrinoids. |
| Authors of publication | Naito, Wakana; Yasuda, Nobuhiro; Morimoto, Tatsuki; Shigeta, Yasuteru; Takaya, Hikaru; Hisaki, Ichiro; Maeda, Hiromitsu |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 12 |
| Pages of publication | 3006 - 3009 |
| a | 6.934 ± 0.003 Å |
| b | 11.235 ± 0.004 Å |
| c | 19.486 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1518 ± 1.1 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.037 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.0954 |
| Weighted residual factors for all reflections included in the refinement | 0.0958 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184917 (current) | 2016-08-05 | cif/ Adding structures of 1543834, 1543835, 1543836, 1543837, 1543838, 1543839, 1543840 via cif-deposit CGI script. |
1543836.cif |
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Users of the data should acknowledge the original authors of the
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