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Information card for entry 7118014
Preview
| Coordinates | 7118014.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C114 H182 Au2 P2 |
|---|---|
| Calculated formula | C114 H182 Au2 P2 |
| Title of publication | Steric control of the in/out sense of bridgehead substituents in macrobicyclic compounds: isolation of new 'crossed chain' variants of in/out isomers |
| Authors of publication | Michael Stollenz; Deeb Taher; Nattamai Bhuvanesh; Joseph H. Reibenspies; Zuzana Baranova; John A. Gladysz |
| Journal of publication | Chem.Commun. |
| Year of publication | 2015 |
| Journal volume | 51 |
| Pages of publication | 16053 |
| a | 13.0821 ± 0.0009 Å |
| b | 24.554 ± 0.0017 Å |
| c | 17.7022 ± 0.0013 Å |
| α | 90° |
| β | 108.761 ± 0.004° |
| γ | 90° |
| Cell volume | 5384.1 ± 0.7 Å3 |
| Cell temperature | 110.15 K |
| Ambient diffraction temperature | 110.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0574 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1156 |
| Weighted residual factors for all reflections included in the refinement | 0.1228 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 169890 (current) | 2015-10-30 | cif/ Adding structures of 7118012, 7118013, 7118014 via cif-deposit CGI script. |
7118014.cif |
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Users of the data should acknowledge the original authors of the
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