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Information card for entry 4116880
Preview
Coordinates | 4116880.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H25 Cl Hg O5 |
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Calculated formula | C18 H25 Cl Hg O5 |
SMILES | [Hg](Cl)[C@H]1C(=O)[C@]2(OCCC2)[C@]2(OCCC2)[C@@]2(OCCC2)[C@]21OCCC2.[Hg](Cl)[C@@H]1C(=O)[C@@]2(OCCC2)[C@@]2(OCCC2)[C@]2(OCCC2)[C@@]21OCCC2 |
Title of publication | Intramolecular Oxymercuration of Stereoisomeric Cyclohexyl-Belted Poly(spirotetrahydrofuranyl) Platforms |
Authors of publication | Leo A. Paquette; David G. Bolin; Marshall Stepanian; Bruce M. Branan; Uppuluri V. Mallavadhani; Jinsung Tae; Shawn W. E. Eisenberg; Robin D. Rogers |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1998 |
Journal volume | 120 |
Pages of publication | 11603 - 11615 |
a | 22.5772 ± 0.0007 Å |
b | 9.4092 ± 0.0003 Å |
c | 16.9302 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3596.54 ± 0.19 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.0536 |
Residual factor for significantly intense reflections | 0.0261 |
Weighted residual factors for all reflections | 0.0795 |
Weighted residual factors for significantly intense reflections | 0.0491 |
Goodness-of-fit parameter for all reflections | 1.002 |
Goodness-of-fit parameter for significantly intense reflections | 1.068 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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