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Information card for entry 1559870
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Coordinates | 1559870.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Keinan-58 Polymorph A |
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Chemical name | Decakis(t-butylsulfido)corannulene |
Formula | C60 H94.33 O2.33 S10 |
Calculated formula | C60 H94.33 O2.33 S10 |
Title of publication | Flat corannulene: when a transition state becomes a stable molecule |
Authors of publication | Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud |
Journal of publication | Chemical Science |
Year of publication | 2020 |
Journal volume | 11 |
Journal issue | 48 |
Pages of publication | 13015 - 13025 |
a | 20.793 ± 0.004 Å |
b | 20.793 ± 0.004 Å |
c | 16.882 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 6321 ± 2 Å3 |
Cell temperature | 240 ± 1 K |
Ambient diffraction temperature | 240 ± 1 K |
Number of distinct elements | 4 |
Space group number | 143 |
Hermann-Mauguin space group symbol | P 3 |
Hall space group symbol | P 3 |
Residual factor for all reflections | 0.1836 |
Residual factor for significantly intense reflections | 0.0995 |
Weighted residual factors for significantly intense reflections | 0.2371 |
Weighted residual factors for all reflections included in the refinement | 0.2722 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.427 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1559870.html
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