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Information card for entry 4079115
Preview
Coordinates | 4079115.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H47 Ca I O5 |
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Calculated formula | C27 H47 Ca I O5 |
SMILES | [Ca](I)([O]1CCCCC1)([O]1CCCCC1)([O]1CCCCC1)([O]1CCCCC1)c1ccc(OC)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 | 9.1602 ± 0.0002 Å |
b | 37.6073 ± 0.0009 Å |
c | 8.8171 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3037.41 ± 0.12 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 5 |
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 | 0.084 |
Residual factor for significantly intense reflections | 0.04 |
Weighted residual factors for significantly intense reflections | 0.0618 |
Weighted residual factors for all reflections included in the refinement | 0.0723 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
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/4079115.html
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