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Information card for entry 4105215
Preview
Coordinates | 4105215.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1,2-diallyl-C60 |
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Formula | C66 H10 |
Calculated formula | C66 H10 |
SMILES | C12(C3(c4c5c6c1c1c7c2c2c8c3c3c4c4c9c5c5c6c6c1c1c%10c7c7c2c2c8c8c3c3c4c4c9c9c5c5c6c1c1c6c%10c7c7c%10c6c6c%11c%12c%10c(c27)c8c3c%12c4c%11c9c5c16)CC=C)CC=C |
Title of publication | Regioselective Unsymmetrical Tetraallylation of C60 through Palladium Catalysis |
Authors of publication | Masakazu Nambo; Atsushi Wakamiya; Shigehiro Yamaguchi; Kenichiro Itami |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 15112 - 15113 |
a | 16.505 ± 0.005 Å |
b | 10.134 ± 0.003 Å |
c | 20.035 ± 0.006 Å |
α | 90° |
β | 109.164 ± 0.004° |
γ | 90° |
Cell volume | 3165.4 ± 1.6 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 2 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1484 |
Residual factor for significantly intense reflections | 0.1226 |
Weighted residual factors for significantly intense reflections | 0.344 |
Weighted residual factors for all reflections included in the refinement | 0.363 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.318 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKa |
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/4105215.html
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Users of the data should acknowledge the original authors of the
structural data.