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Information card for entry 4116371
Preview
Coordinates | 4116371.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H12 I2 |
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Calculated formula | C16 H12 I2 |
SMILES | C12(C3C4C5(C3C1C5C24)C12C3C4C5(C(C14)C2C35)I)I |
Title of publication | Building with Cubane-1,4-diyl. Synthesis of Aryl-Substituted Cubanes, p-[n]Cubyls, and Cubane-Separated Bis(arenes)1 |
Authors of publication | Eaton, Philip E.; Pramod, Kakumanu; Emrick, Todd; Gilardi, Richard |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1999 |
Journal volume | 121 |
Journal issue | 17 |
Pages of publication | 4111 - 4123 |
a | 8.9775 ± 0.0003 Å |
b | 8.9775 ± 0.0003 Å |
c | 15.3644 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1072.4 ± 0.09 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 3 |
Space group number | 166 |
Hermann-Mauguin space group symbol | R -3 m :H |
Hall space group symbol | -R 3 2" |
Residual factor for all reflections | 0.0313 |
Residual factor for significantly intense reflections | 0.0265 |
Weighted residual factors for all reflections | 0.0655 |
Weighted residual factors for significantly intense reflections | 0.0631 |
Goodness-of-fit parameter for all reflections | 1.166 |
Goodness-of-fit parameter for significantly intense reflections | 1.215 |
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/4116371.html
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Users of the data should acknowledge the original authors of the
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