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Information card for entry 1571577
Preview
Coordinates | 1571577.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H50 O2 |
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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 T.; Cajiao, Nathalia; Taylor, Laurence J.; Davies, E. Stephen; Barbour, Alistair; Morgan, Patrick J.; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen P.; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah L. |
Journal of publication | Chemical science |
Year of publication | 2024 |
Journal volume | 15 |
Journal issue | 25 |
Pages of publication | 9599 - 9611 |
a | 17.8916 ± 0.0006 Å |
b | 16.8787 ± 0.0006 Å |
c | 13.6585 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4124.7 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 3 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0556 |
Residual factor for significantly intense reflections | 0.0487 |
Weighted residual factors for significantly intense reflections | 0.1285 |
Weighted residual factors for all reflections included in the refinement | 0.1348 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/1571577.html
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Users of the data should acknowledge the original authors of the
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