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Information card for entry 4080620
Preview
Coordinates | 4080620.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H38 F6 N4 O6 S2 |
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Calculated formula | C31 H38 F6 N4 O6 S2 |
SMILES | S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.n1(C2CCCCC2)c([n+](C)c2c1cccc2)Cc1n(C2CCCCC2)c2ccccc2[n+]1C |
Title of publication | Synthetic Modification of Acyclic Bent Allenes (Carbodicarbenes) and Further Studies on Their Structural Implications and Reactivities |
Authors of publication | Chen, Wen-Ching; Hsu, Yu-Chen; Lee, Ching-Yu; Yap, Glenn P. A.; Ong, Tiow-Gan |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 8 |
Pages of publication | 2435 |
a | 13.8038 ± 0.0004 Å |
b | 14.4244 ± 0.0003 Å |
c | 17.3556 ± 0.0004 Å |
α | 77.532 ± 0.002° |
β | 87.258 ± 0.002° |
γ | 74.989 ± 0.002° |
Cell volume | 3258.94 ± 0.14 Å3 |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0951 |
Residual factor for significantly intense reflections | 0.05 |
Weighted residual factors for all reflections included in the refinement | 0.1639 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9276 |
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/4080620.html
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Users of the data should acknowledge the original authors of the
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