Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7052640
Preview
Coordinates | 7052640.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C210 H412 K6 O206 |
---|---|
Calculated formula | C210 H300 K6 O206 |
Title of publication | Inclusion of potassium 4,4′-biphenyldicarboxylate into β-cyclodextrin: the design and synthesis of an organic secondary building unit |
Authors of publication | Fernandes, José A.; Paz, Filipe A. Almeida; Braga, Susana S.; Ribeiro-Claro, Paulo J. A.; Rocha, João |
Journal of publication | New Journal of Chemistry |
Year of publication | 2011 |
Journal volume | 35 |
Journal issue | 6 |
Pages of publication | 1280 |
a | 18.915 ± 0.012 Å |
b | 24.271 ± 0.016 Å |
c | 33.344 ± 0.019 Å |
α | 90° |
β | 99.883 ± 0.016° |
γ | 90° |
Cell volume | 15081 ± 16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.4596 |
Residual factor for significantly intense reflections | 0.1566 |
Weighted residual factors for significantly intense reflections | 0.2844 |
Weighted residual factors for all reflections included in the refinement | 0.3805 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
180080 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26. |
7052640.cif |
120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052640.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052640.cif |
23551 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7052639, 7052640 via cif-deposit CGI script. |
7052640.cif |
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.