Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4021918
Preview
Coordinates | 4021918.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 6,16-Diacetyl-Tetramantan |
---|---|
Formula | C26 H32 O2 |
Calculated formula | C26 H32 O2 |
SMILES | [C@@H]12[C@H]3CC4(CC51[C@H]1[C@@H]6C7([C@H]2[C@@H]2C([C@H]6CC(C7)(C(=O)C)C2)C5)CC3[C@H]1C4)C(=O)C |
Title of publication | Functionalized Nanodiamonds: Triamantane and [121]Tetramantane |
Authors of publication | Peter R. Schreiner; Natalie A. Fokina; Boryslav A. Tkachenko; Heike Hausmann; Michael Serafin; Jeremy E. P. Dahl; Shenggao Liu; Robert M. K. Carlson; Andrey A. Fokin |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 6709 - 6720 |
a | 9.614 ± 0.002 Å |
b | 8.0531 ± 0.0018 Å |
c | 12.265 ± 0.003 Å |
α | 90° |
β | 99.09 ± 0.03° |
γ | 90° |
Cell volume | 937.7 ± 0.4 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1023 |
Residual factor for significantly intense reflections | 0.0621 |
Weighted residual factors for significantly intense reflections | 0.162 |
Weighted residual factors for all reflections included in the refinement | 0.185 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
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/4021918.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.