Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4108661
Preview
Coordinates | 4108661.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | C60CH2SiMe2Ph2 |
---|---|
Formula | C78 H26 Si2 |
Calculated formula | C80.7 H26 Si2 |
Title of publication | Regioselective Synthesis of 1,4-Di(organo)[60]fullerenes through DMF-assisted Monoaddition of Silylmethyl Grignard Reagents and Subsequent Alkylation Reaction |
Authors of publication | Yutaka Matsuo; Akihiko Iwashita; Yoko Abe; Chang-Zhi Li; Keiko Matsuo; Masahiko Hashiguchi; Eiichi Nakamura |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 15429 - 15436 |
a | 10.3602 ± 0.0002 Å |
b | 19.0203 ± 0.0004 Å |
c | 22.665 ± 0.0004 Å |
α | 90° |
β | 97.137 ± 0.001° |
γ | 90° |
Cell volume | 4431.63 ± 0.15 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.168 |
Residual factor for significantly intense reflections | 0.0989 |
Weighted residual factors for significantly intense reflections | 0.2388 |
Weighted residual factors for all reflections included in the refinement | 0.3024 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54173 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4108661.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.