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Information card for entry 4106324
Preview
Coordinates | 4106324.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H27 Fe O3 P |
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Calculated formula | C18 H27 Fe O3 P |
SMILES | [Fe]123([P]4=[C]1([C]2(=[C]34C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])C#[O] |
Title of publication | Remarkable Metal-Complexed Phosphorus Analogues of the Cyclopropenylcarbene-Cyclobutadiene Rearrangement |
Authors of publication | Volodymyr Lyaskovskyy; Niels Elders; Andreas W. Ehlers; Martin Lutz; J. Chris Slootweg; Koop Lammertsma |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 9704 - 9707 |
a | 9.2927 ± 0.0004 Å |
b | 13.0702 ± 0.0005 Å |
c | 16.0005 ± 0.0009 Å |
α | 98.187 ± 0.002° |
β | 90.054 ± 0.002° |
γ | 93.899 ± 0.003° |
Cell volume | 1919.01 ± 0.15 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0669 |
Residual factor for significantly intense reflections | 0.0357 |
Weighted residual factors for significantly intense reflections | 0.0689 |
Weighted residual factors for all reflections included in the refinement | 0.0786 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4106324.html
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