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Information card for entry 4038159
Preview
| Coordinates | 4038159.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H6 F3 N O2 |
|---|---|
| Calculated formula | C7 H6 F3 N O2 |
| Title of publication | Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three Component Complexes. |
| Authors of publication | Taimoory, S. Maryamdokht; Twum, Kwaku; Dashti, Mohadeseh; Pan, FangFang; Lahtinen, Manu; Rissanen, Kari; Puttreddy, Rakesh; Trant, John F.; Beyeh, Ngong Kodiah |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2020 |
| a | 14.511 ± 0.002 Å |
| b | 14.511 ± 0.002 Å |
| c | 10.2 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1860.1 ± 0.5 Å3 |
| Cell temperature | 170 ± 0.1 K |
| Ambient diffraction temperature | 170 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 145 |
| Hermann-Mauguin space group symbol | P 32 |
| Hall space group symbol | P 32 |
| Residual factor for all reflections | 0.0612 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249887 (current) | 2020-04-01 | cif/ Adding structures of 4038152, 4038153, 4038154, 4038155, 4038156, 4038157, 4038158, 4038159 via cif-deposit CGI script. |
4038159.cif |
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Users of the data should acknowledge the original authors of the
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