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Information card for entry 8000351
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Coordinates | 8000351.cif |
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Original paper (by DOI) | HTML |
Formula | C60 H86 O6 |
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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 |
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