Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7027751
Preview
Coordinates | 7027751.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 10,16-dioxa-3,13,,23,29-tetraazatetraciclo[23.3.1.0^4,9^.0^17,22^] nonacosa-1(29),4(9),5,7,17,19,21,25,27-nonaene |
---|---|
Formula | C23 H28 N4 O3 |
Calculated formula | C23 H28 N4 O3 |
SMILES | c12CNc3c(cccc3)OCCNCCOc3c(NCc(n1)ccc2)cccc3.O |
Title of publication | Zinc and cadmium complexes of an 18-membered N4O2 oxaaza-Schiff base macrocycle and the corresponding reduced form † |
Authors of publication | Adams, Harry; Bastida, Rufina; Fenton, David E.; Macías, Alejandro; Spey, Sharon E.; Valencia, Laura |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 23 |
Pages of publication | 4131 |
a | 21.7074 ± 0.0003 Å |
b | 12.1388 ± 0.0002 Å |
c | 7.9913 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2105.72 ± 0.07 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 36 |
Hermann-Mauguin space group symbol | C m c 21 |
Hall space group symbol | C 2c -2 |
Residual factor for all reflections | 0.0471 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for significantly intense reflections | 0.0856 |
Weighted residual factors for all reflections included in the refinement | 0.0947 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/7027751.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.