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Information card for entry 4079118
Preview
Coordinates | 4079118.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H42 Li2 O4 |
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Calculated formula | C29 H42 Li2 O4 |
SMILES | [Li]12([CH2](c3ccccc3)[Li]3([O](C)CC[O]3C)[CH2]2c2ccccc2)[O](C)CC[O]1C.c1(ccccc1)C |
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 | 7.4522 ± 0.0007 Å |
b | 19.0831 ± 0.0017 Å |
c | 19.9461 ± 0.0011 Å |
α | 90° |
β | 94.64 ± 0.005° |
γ | 90° |
Cell volume | 2827.3 ± 0.4 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.2471 |
Residual factor for significantly intense reflections | 0.0734 |
Weighted residual factors for significantly intense reflections | 0.1192 |
Weighted residual factors for all reflections included in the refinement | 0.1693 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4079118.html
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Users of the data should acknowledge the original authors of the
structural data.