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Information card for entry 4131009
Preview
| Coordinates | 4131009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H37 Br O4 |
|---|---|
| Calculated formula | C50 H37 Br O4 |
| Title of publication | Synthesis, Structure, and Chiroptical Properties of a Double [7]Heterohelicene. |
| Authors of publication | Wang, Xiao-Ye; Wang, Xin-Chang; Narita, Akimitsu; Wagner, Manfred; Cao, Xiao-Yu; Feng, Xinliang; Müllen, Klaus |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 39 |
| Pages of publication | 12783 - 12786 |
| a | 32.9726 ± 0.001 Å |
| b | 32.9726 ± 0.001 Å |
| c | 10.6792 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 10054.9 ± 0.5 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.1359 |
| Residual factor for significantly intense reflections | 0.0932 |
| Weighted residual factors for significantly intense reflections | 0.2454 |
| Weighted residual factors for all reflections included in the refinement | 0.267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.525 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241330 (current) | 2019-11-25 | cif/ Adding structures of 4131008, 4131009 via cif-deposit CGI script. |
4131009.cif |
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Users of the data should acknowledge the original authors of the
structural data.