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Information card for entry 1571576
Preview
Coordinates | 1571576.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H50 O2 |
---|---|
Calculated formula | C52 H50 O2 |
Title of publication | Mechanistic investigations of the Fe(II) mediated synthesis of squaraines |
Authors of publication | Liu, Yu; Coles, Nathan Thomas; Cajiao, Nathalia; Taylor, Laurence John; Davies, Edward Stephen; Barbour, Alistair; Morgan, Patrick; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah Lorraine |
Journal of publication | Chemical Science |
Year of publication | 2024 |
a | 19.6224 ± 0.0001 Å |
b | 20.014 ± 0.0001 Å |
c | 22.4185 ± 0.0001 Å |
α | 90° |
β | 114.596 ± 0.001° |
γ | 90° |
Cell volume | 8005.4 ± 0.09 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.079 |
Residual factor for significantly intense reflections | 0.0626 |
Weighted residual factors for significantly intense reflections | 0.1864 |
Weighted residual factors for all reflections included in the refinement | 0.1948 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
Diffraction radiation wavelength | 0.6889 Å |
Diffraction radiation type | Synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1571576.html
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structural data.