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Information card for entry 1556106
Preview
| Coordinates | 1556106.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H16 F6 O2 |
|---|---|
| Calculated formula | C28 H16 F6 O2 |
| Title of publication | Conformational and electronic engineering of twisted diphenylacetylenes. |
| Authors of publication | Brizius, Glen; Billingsley, Kelvin; Smith, Mark D.; Bunz, Uwe H. F. |
| Journal of publication | Organic letters |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 21 |
| Pages of publication | 3951 - 3954 |
| a | 19.3494 ± 0.0011 Å |
| b | 20.3274 ± 0.0011 Å |
| c | 22.3761 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8801 ± 0.9 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 37 |
| Hermann-Mauguin space group symbol | C c c 2 |
| Hall space group symbol | C 2 -2c |
| Residual factor for all reflections | 0.0529 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.0996 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243469 (current) | 2019-11-26 | cif/ Adding structures of 1556106 via cif-deposit CGI script. |
1556106.cif |
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Users of the data should acknowledge the original authors of the
structural data.