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Information card for entry 4079112
Preview
Coordinates | 4079112.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H44 Ca Cl I O4 |
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Calculated formula | C26 H44 Ca Cl I O4 |
SMILES | [Ca](I)([O]1CCCCC1)([O]1CCCCC1)([O]1CCCCC1)([O]1CCCCC1)c1ccc(Cl)cc1 |
Title of publication | Arylcalcium Iodides in Tetrahydropyran: Solution Stability in Comparison to Aryllithium Reagents |
Authors of publication | Langer, Jens; Köhler, Mathias; Fischer, Reinald; Dündar, Feyza; Görls, Helmar; Westerhausen, Matthias |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 17 |
Pages of publication | 6172 |
a | 8.7118 ± 0.0007 Å |
b | 8.9636 ± 0.0007 Å |
c | 37.91 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2960.4 ± 0.4 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1339 |
Residual factor for significantly intense reflections | 0.0518 |
Weighted residual factors for significantly intense reflections | 0.0956 |
Weighted residual factors for all reflections included in the refinement | 0.1257 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
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/4079112.html
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