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Information card for entry 4112242
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4112242.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [P(CH2CH2OAc)4]+I- |
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Formula | C16 H28 I O8 P |
Calculated formula | C16 H28 I O8 P |
SMILES | [I-].[P+](CCOC(=O)C)(CCOC(=O)C)(CCOC(=O)C)CCOC(=O)C |
Title of publication | The Tetra(vinyl)phosphonium Cation [(CH2CH)4P]+ |
Authors of publication | Uwe V. Monkowius; Stefan D. Nogai; Hubert Schmidbaur |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2004 |
Journal volume | 126 |
Pages of publication | 1632 - 1633 |
a | 10.5931 ± 0.0001 Å |
b | 10.593 Å |
c | 37.5286 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4211.19 ± 0.08 Å3 |
Cell temperature | 143 ± 2 K |
Ambient diffraction temperature | 143 ± 2 K |
Number of distinct elements | 5 |
Space group number | 120 |
Hermann-Mauguin space group symbol | I -4 c 2 |
Hall space group symbol | I -4 -2c |
Residual factor for all reflections | 0.0258 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for significantly intense reflections | 0.0684 |
Weighted residual factors for all reflections included in the refinement | 0.0714 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.227 |
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/4112242.html
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Users of the data should acknowledge the original authors of the
structural data.