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Information card for entry 4114861
Preview
Coordinates | 4114861.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H35 F2 N O2 S Si |
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Calculated formula | C24 H35 F2 N O2 S Si |
SMILES | [Si](C(=C=C(F)F)CN(S(=O)(=O)c1ccc(cc1)C)CC#CC)(C(C)C)(C(C)C)C(C)C |
Title of publication | Regiospecific Synthesis of Bicyclo- and Heterobicyclo-gem-difluorocyclobutenes Using Functionalized Fluoroallenes and a Novel Mo-Catalyzed Intramolecular [2 + 2] Cycloaddition Reaction |
Authors of publication | Qilong Shen; Gerald B. Hammond |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2002 |
Journal volume | 124 |
Pages of publication | 6534 - 6535 |
a | 9.2413 ± 0.0001 Å |
b | 11.398 ± 0.0001 Å |
c | 14.1375 ± 0.0002 Å |
α | 98.7602 ± 0.0005° |
β | 108.931 ± 0.0006° |
γ | 105.847 ± 0.0006° |
Cell volume | 1306.7 ± 0.03 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0581 |
Residual factor for significantly intense reflections | 0.0493 |
Weighted residual factors for significantly intense reflections | 0.1344 |
Weighted residual factors for all reflections included in the refinement | 0.1429 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/4114861.html
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