Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7155339
Preview
Coordinates | 7155339.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | cyclo[(R)-Lac-1,4-Tri-Epa]3 |
---|---|
Formula | C40 H57 N15 O8.35 S5 |
Calculated formula | C40 H57 N15 O8.35 S5 |
Title of publication | Oxoanion binding to a cyclic pseudopeptide containing 1,4-disubstituted 1,2,3-triazole moieties. |
Authors of publication | Mungalpara, Disha; Kelm, Harald; Valkonen, Arto; Rissanen, Kari; Keller, Sandro; Kubik, Stefan |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2016 |
Journal volume | 15 |
Journal issue | 1 |
Pages of publication | 102 - 113 |
a | 9.3172 ± 0.0002 Å |
b | 18.6791 ± 0.0004 Å |
c | 29.1423 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5071.84 ± 0.18 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.035 |
Residual factor for significantly intense reflections | 0.0327 |
Weighted residual factors for significantly intense reflections | 0.0821 |
Weighted residual factors for all reflections included in the refinement | 0.0843 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
191751 (current) | 2017-02-04 | cif/ Updating files of 7155338, 7155339 Original log message: Adding full bibliography for 7155338--7155339.cif. |
7155339.cif |
187642 | 2016-10-28 | cif/ Adding structures of 7155338, 7155339 via cif-deposit CGI script. |
7155339.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.