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Information card for entry 7130106
Preview
| Coordinates | 7130106.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | C136H46N2 |
|---|---|
| Formula | C136 H46 N2 |
| Calculated formula | C136 H46 N2 |
| Title of publication | Stereoelectronically-induced allosteric binding: shape complementarity promotes positive cooperativity in fullerene/buckybowl complexes |
| Authors of publication | Larsen, Eric S.; Ahumada, Guillermo; Sultane, Prakash R.; Bielawski, Christopher W. |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 11.115 ± 0.0001 Å |
| b | 12.5618 ± 0.0002 Å |
| c | 16.5098 ± 0.0002 Å |
| α | 94.211 ± 0.001° |
| β | 108.419 ± 0.001° |
| γ | 111.7 ± 0.001° |
| Cell volume | 1984.2 ± 0.05 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0793 |
| Residual factor for significantly intense reflections | 0.0781 |
| Weighted residual factors for significantly intense reflections | 0.2353 |
| Weighted residual factors for all reflections included in the refinement | 0.2371 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275458 (current) | 2022-05-17 | cif/ Adding structures of 7130106 via cif-deposit CGI script. |
7130106.cif |
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