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Information card for entry 1555473
Preview
| Coordinates | 1555473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 N O5 |
|---|---|
| Calculated formula | C21 H19 N O5 |
| SMILES | N(c1c2C#Cc3c(OCCCOc2ccc1)cccc3C(=O)OC)C(=O)C |
| Title of publication | Conformationally Locked Tolans, β-Sheet Structures, and Photophysical Properties. |
| Authors of publication | Hong, Jung-Ho; Atta, Ananta Kumar; Jung, Kwang-Bok; Kim, Seul-Bi; Heo, Jungseok; Cho, Dong-Gyu |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 24 |
| Pages of publication | 6222 - 6225 |
| a | 9.3725 ± 0.001 Å |
| b | 21.712 ± 0.002 Å |
| c | 9.3146 ± 0.001 Å |
| α | 90° |
| β | 106.094 ± 0.002° |
| γ | 90° |
| Cell volume | 1821.2 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.1887 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.1486 |
| Weighted residual factors for all reflections included in the refinement | 0.2009 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238747 (current) | 2019-11-24 | cif/ Adding structures of 1555473 via cif-deposit CGI script. |
1555473.cif |
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Users of the data should acknowledge the original authors of the
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