Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7241322
Preview
Coordinates | 7241322.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | TPCB |
---|---|
Chemical name | rctt-tetrakis-(5-pyrimidyl)-cyclobutane |
Formula | C20 H16 N8 |
Calculated formula | C20 H16 N8 |
Title of publication | Application of a tetrapyrimidyl cyclobutane synthesized in the organic solid state: a halogen-bonded supramolecular ladder |
Authors of publication | Sinnwell, Michael A.; Santana, Carlos; Bosch, Eric; MacGillivray, Len R.; Groeneman , Ryan |
Journal of publication | CrystEngComm |
Year of publication | 2020 |
a | 15.666 ± 0.0016 Å |
b | 7.1513 ± 0.0007 Å |
c | 17.0738 ± 0.0017 Å |
α | 90° |
β | 111.938 ± 0.005° |
γ | 90° |
Cell volume | 1774.3 ± 0.3 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 3 |
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 | 0.0677 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for significantly intense reflections | 0.1333 |
Weighted residual factors for all reflections included in the refinement | 0.14 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
256842 (current) | 2020-09-30 | cif/ Adding structures of 7241322, 7241323 via cif-deposit CGI script. |
7241322.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.