Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7113040
Preview
Coordinates | 7113040.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H18 O2 |
---|---|
Calculated formula | C12 H18 O2 |
SMILES | C(=O)([C@H]1[C@]2([C@@H]1C[C@H]1C[C@@H]2C1(C)C)C)O |
Title of publication | Chiral cyclopropylamines in the synthesis of new ligands; first asymmetric Alkyl-BIAN compounds. |
Authors of publication | Hagar, Mohamed; Ragaini, Fabio; Monticelli, Elena; Caselli, Alessandro; Macchi, Piero; Casati, Nicola |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 33 |
Pages of publication | 6153 - 6155 |
a | 7.419 ± 0.002 Å |
b | 20.487 ± 0.006 Å |
c | 28.422 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4320 ± 2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0648 |
Residual factor for significantly intense reflections | 0.0505 |
Weighted residual factors for significantly intense reflections | 0.1129 |
Weighted residual factors for all reflections included in the refinement | 0.1205 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
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/7113040.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.