Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7156266
Preview
Coordinates | 7156266.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H112 N2 O8 P2 |
---|---|
Calculated formula | C72 H112 N2 O8 P2 |
Title of publication | Backbone conformation affects duplex initiation and duplex propagation in hybridisation of synthetic H-bonding oligomers. |
Authors of publication | Iadevaia, Giulia; Núñez-Villanueva, Diego; Stross, Alexander E.; Hunter, Christopher A. |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2018 |
Journal volume | 16 |
Journal issue | 22 |
Pages of publication | 4183 - 4190 |
a | 21.0973 ± 0.0005 Å |
b | 11.579 ± 0.0003 Å |
c | 14.9601 ± 0.0004 Å |
α | 90° |
β | 109.03 ± 0.002° |
γ | 90° |
Cell volume | 3454.81 ± 0.16 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1938 |
Residual factor for significantly intense reflections | 0.154 |
Weighted residual factors for significantly intense reflections | 0.4485 |
Weighted residual factors for all reflections included in the refinement | 0.4875 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.904 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
230597 (current) | 2019-11-17 | cif/ Updating files of 7156266 Original log message: Adding full bibliography for 7156266.cif. |
7156266.cif |
207942 | 2018-05-23 | cif/ Adding structures of 7156266 via cif-deposit CGI script. |
7156266.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.