Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2014645
Preview
Coordinates | 2014645.cif |
---|---|
Structure factors | 2014645.hkl |
Original IUCr paper | HTML |
Chemical name | 28,31,36,39-tetraoxa-9,17,42-pentaaza-1,25- diazoniapentacyclo[23.8.5.1^11,15^.0^3,8^.0^18,23^]nonatriaconta- 3,5,7,9,11,13,15,16,18,20,22-undecane bis(perchlorate) |
---|---|
Formula | C33 H43 Cl2 N5 O12 |
Calculated formula | C33 H43 Cl2 N5 O12 |
Title of publication | A Schiff base lateral macrobicycle derived from 4,13-diaza-18-crown-6 in its protonated form |
Authors of publication | Avecilla, Fernando; Esteban, David; Platas-Iglesias, Carlos; Fernández-Martínez, Susana; De Blas, Andres; Rodríguez-Blas, Teresa |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 2 |
Pages of publication | o92 - o94 |
a | 9.5092 ± 0.0002 Å |
b | 19.1979 ± 0.0002 Å |
c | 20.6024 ± 0.0005 Å |
α | 90° |
β | 96.88 ± 0.001° |
γ | 90° |
Cell volume | 3734.02 ± 0.13 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1122 |
Residual factor for significantly intense reflections | 0.0678 |
Weighted residual factors for significantly intense reflections | 0.1836 |
Weighted residual factors for all reflections included in the refinement | 0.2143 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2014645.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.