Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1503233
Preview
Coordinates | 1503233.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H45 Br2 N3 O |
---|---|
Calculated formula | C29 H45 Br2 N3 O |
SMILES | Brc1cc(c(cc1)/N=C/c1cc(Br)ccc1[O-])N.C(CCC)[N+](CCCC)(CCCC)CCCC |
Title of publication | Practical approach to structurally diverse monoimine salts and nonsymmetrical metallosalphen complexes. |
Authors of publication | Escudero-Adán, Eduardo C; Martínez Belmonte, Marta; Benet-Buchholz, Jordi; Kleij, Arjan W. |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 20 |
Pages of publication | 4592 - 4595 |
a | 15.8418 ± 0.001 Å |
b | 14.3022 ± 0.0007 Å |
c | 13.0883 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2965.5 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.1044 |
Residual factor for significantly intense reflections | 0.0604 |
Weighted residual factors for significantly intense reflections | 0.1428 |
Weighted residual factors for all reflections included in the refinement | 0.1621 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
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/1503233.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.