Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4132672
Preview
Coordinates | 4132672.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H21 N |
---|---|
Calculated formula | C19 H21 N |
SMILES | n1c2c(c(/C=C\C=C\C3CCCCC3)cc1)cccc2 |
Title of publication | Highly Regio- and Stereoselective Catalytic Synthesis of Conjugated Dienes and Polyenes. |
Authors of publication | Nguyen, Vu T.; Dang, Hang T.; Pham, Hoang H.; Nguyen, Viet D.; Flores-Hansen, Carsten; Arman, Hadi D.; Larionov, Oleg V. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 27 |
Pages of publication | 8434 - 8438 |
a | 12.9391 ± 0.0004 Å |
b | 8.796 ± 0.0002 Å |
c | 13.4951 ± 0.0004 Å |
α | 90° |
β | 104.676 ± 0.003° |
γ | 90° |
Cell volume | 1485.8 ± 0.07 Å3 |
Cell temperature | 98 ± 2 K |
Ambient diffraction temperature | 98 ± 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 | 0.0748 |
Residual factor for significantly intense reflections | 0.0743 |
Weighted residual factors for significantly intense reflections | 0.1447 |
Weighted residual factors for all reflections included in the refinement | 0.145 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
Diffraction radiation probe | x-ray |
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/4132672.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.