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Information card for entry 7117362
Preview
Coordinates | 7117362.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | bicyclic [4]dendralene |
---|---|
Formula | C46 H98 O Si10 |
Calculated formula | C46 H98 O Si10 |
SMILES | [Si]12(C=CC3=C[C@@H]4[C@H](C=CC3=C1)[Si]14C(CCC1([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(CCC2([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.O(CC)CC.[Si]12(C=CC3=C[C@H]4[C@@H](C=CC3=C1)[Si]14C(CCC1([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(CCC2([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.O(CC)CC |
Title of publication | Transformation of azulenes to bicyclic [4]dendralene and heptafulvene derivatives via photochemical cycloaddition of dialkylsilylene |
Authors of publication | Tomoyuki Kosai; Shintaro Ishida; Takeaki Iwamoto |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 10707 |
a | 9.4329 ± 0.0013 Å |
b | 11.2567 ± 0.0016 Å |
c | 29.197 ± 0.004 Å |
α | 85.049 ± 0.002° |
β | 83.862 ± 0.002° |
γ | 67.021 ± 0.002° |
Cell volume | 2834.5 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0608 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.0999 |
Weighted residual factors for all reflections included in the refinement | 0.1036 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
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/7117362.html
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