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Information card for entry 1549510
Preview
Coordinates | 1549510.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H30 |
---|---|
Calculated formula | C40 H30 |
SMILES | c12c3c4cc(c5ccccc5c5cc(CCc6cc4c(CCc4ccccc4c(c1)ccc2)cc6)ccc5)cc3 |
Title of publication | Molecular dynamic staircases: all-carbon axial chiral "Geländer" structures. |
Authors of publication | Mannancherry, Rajesh; Rickhaus, Michel; Häussinger, Daniel; Prescimone, Alessandro; Mayor, Marcel |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 26 |
Pages of publication | 5758 - 5766 |
a | 9.2297 ± 0.0004 Å |
b | 10.6903 ± 0.0004 Å |
c | 27.8883 ± 0.0012 Å |
α | 90° |
β | 91.6399 ± 0.0018° |
γ | 90° |
Cell volume | 2750.6 ± 0.2 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 2 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0405 |
Residual factor for significantly intense reflections | 0.0361 |
Weighted residual factors for all reflections | 0.0785 |
Weighted residual factors for significantly intense reflections | 0.0778 |
Weighted residual factors for all reflections included in the refinement | 0.0785 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9187 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1549510.html
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Users of the data should acknowledge the original authors of the
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