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Information card for entry 1507801
Preview
| Coordinates | 1507801.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H37 N2 O5 |
|---|---|
| Calculated formula | C49 H37 N2 O5 |
| SMILES | O=C1N(c2c(cccc2C(C)C)C(C)C)C(=O)c2ccc3c4cccc5c(ccc(c6ccc1c2c36)c45)c1ccc2c3c(cccc13)C(=O)N(C2=O)CCCO |
| Title of publication | Energy Transfer in Near-Orthogonally Arranged Chromophores Separated through a Single Bond |
| Authors of publication | Cheriya, Rijo T.; Joy, Jimmy; Alex, Andrews P.; Shaji, Anil; Hariharan, Mahesh |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2012 |
| Journal volume | 116 |
| Journal issue | 23 |
| Pages of publication | 12489 |
| a | 10.4825 ± 0.0003 Å |
| b | 12.3742 ± 0.0004 Å |
| c | 16.3558 ± 0.0005 Å |
| α | 83.7391 ± 0.0018° |
| β | 86.7693 ± 0.0018° |
| γ | 68.5231 ± 0.0016° |
| Cell volume | 1962.16 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0661 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1506 |
| Weighted residual factors for all reflections included in the refinement | 0.1571 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.