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Information card for entry 4116509
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Coordinates | 4116509.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | o-Cl-HABI & lophine radical |
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Formula | C42 H28 Cl2 N4 |
Calculated formula | C42 H28 Cl2 N4 |
Title of publication | The First in Situ Direct Observation of the Light-Induced Radical Pair from a Hexaarylbiimidazolyl Derivative by X-ray Crystallography |
Authors of publication | Masaki Kawano; Tomokatsu Sano; Jiro Abe; Yuji Ohashi |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1999 |
Journal volume | 121 |
Pages of publication | 8106 - 8107 |
a | 16.6975 ± 0.0003 Å |
b | 17.3715 ± 0.0003 Å |
c | 45.9434 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 13326.4 ± 0.3 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0795 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.1117 |
Weighted residual factors for all reflections included in the refinement | 0.121 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4116509.html
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Users of the data should acknowledge the original authors of the
structural data.