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Information card for entry 8000350
Preview
| Coordinates | 8000350.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 | 7.1245 ± 0.0003 Å |
| b | 12.6264 ± 0.0006 Å |
| c | 16.7681 ± 0.001 Å |
| α | 101.132 ± 0.002° |
| β | 101.941 ± 0.002° |
| γ | 103.882 ± 0.002° |
| Cell volume | 1385.09 ± 0.12 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1568 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1798 |
| Weighted residual factors for all reflections included in the refinement | 0.2436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8000350.cif |
| 236643 | 2019-11-24 | cif/ Adding structures of 8000350 via cif-deposit CGI script. |
8000350.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.