Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1501790
Preview
Coordinates | 1501790.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C447 H394 O12 Si8 |
---|---|
Calculated formula | C447 H394 O12 Si8 |
Title of publication | Crystalline Hybrid Polyphenylene Macromolecules from Octaalkynylsilsesquioxanes, Crystal Structures, and a Potential Route to 3-D Graphenes |
Authors of publication | Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M. |
Journal of publication | Macromolecules |
Year of publication | 2011 |
Journal volume | 44 |
Journal issue | 9 |
Pages of publication | 3425 |
a | 32.6146 ± 0.0019 Å |
b | 32.6146 ± 0.0019 Å |
c | 41.178 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 43802 ± 6 Å3 |
Cell temperature | 85 ± 2 K |
Ambient diffraction temperature | 85 ± 2 K |
Number of distinct elements | 4 |
Space group number | 85 |
Hermann-Mauguin space group symbol | P 4/n :2 |
Hall space group symbol | -P 4a |
Residual factor for all reflections | 0.1385 |
Residual factor for significantly intense reflections | 0.1193 |
Weighted residual factors for significantly intense reflections | 0.3056 |
Weighted residual factors for all reflections included in the refinement | 0.3139 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.971 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1501790.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501790.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501790.cif |
35142 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501790 via cif-deposit CGI script. |
1501790.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.