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Information card for entry 8000351
Preview
| Coordinates | 8000351.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H86 O6 |
|---|---|
| Calculated formula | C60 H86 O6 |
| Title of publication | Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure-Property Correlations Through Nanoindentation and DFT Calculations. |
| Authors of publication | Roy, Syamantak; Hazra, Arpan; Bandyopadhyay, Arkamita; Raut, Devraj; Madhuri, P. Lakshmi; Rao, D. S. Shankar; Ramamurty, Upadrasta; Pati, Swapan Kumar; Krishna Prasad, S.; Maji, Tapas Kumar |
| Journal of publication | The journal of physical chemistry letters |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 20 |
| Pages of publication | 4086 - 4092 |
| a | 5.6873 ± 0.0004 Å |
| b | 11.0563 ± 0.0009 Å |
| c | 21.3282 ± 0.0017 Å |
| α | 76.848 ± 0.002° |
| β | 83.218 ± 0.002° |
| γ | 89.785 ± 0.003° |
| Cell volume | 1296.44 ± 0.17 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0985 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1465 |
| Weighted residual factors for all reflections included in the refinement | 0.2084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236645 (current) | 2019-11-24 | cif/ Adding structures of 8000351 via cif-deposit CGI script. |
8000351.cif |
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Users of the data should acknowledge the original authors of the
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