Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566958
Preview
| Coordinates | 1566958.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H11 B O3 |
|---|---|
| Calculated formula | C5 H11 B O3 |
| Title of publication | Clarification of Cross-Linkage Structure in Boric Acid Doped Poly(vinyl alcohol) and Its Model Compound As Studied by an Organized Combination of X-ray Single-Crystal Structure Analysis, Raman Spectroscopy, and Density Functional Theoretical Calculation |
| Authors of publication | Itou, Takahiko; Kitai, Hideyuki; Shimazu, Akira; Miyazaki, Tsukasa; Tashiro, Kohji |
| Journal of publication | The Journal of Physical Chemistry B |
| Year of publication | 2014 |
| Journal volume | 118 |
| Journal issue | 22 |
| Pages of publication | 6032 - 6037 |
| a | 14.303 ± 0.01 Å |
| b | 13.119 ± 0.009 Å |
| c | 7.702 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1445.2 ± 1.7 Å3 |
| Cell temperature | 296.1 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.0906 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.06 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275370 (current) | 2022-05-12 | cif/ Adding structures of 1566958 via cif-deposit CGI script. |
1566958.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.