Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7113452
Preview
| Coordinates | 7113452.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H56 O8 Si4 |
|---|---|
| Calculated formula | C40 H56 O8 Si4 |
| SMILES | c1(c2cc(cc1[Si](C)(C)c1c(c(cc(c1)OC)[Si](C)(C)c1c(c(cc(c1)OC)[Si](C)(C)c1c(c(cc(c1)OC)[Si]2(C)C)OC)OC)OC)OC)OC |
| Title of publication | Preparation and structures of novel silamacrocyclic compounds: silacalix[4]quinone and silacalix[4]hydroquinone octamethyl ether |
| Authors of publication | Tsutsui, Shinobu; Sakamoto, Kenkichi |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 18 |
| Pages of publication | 2322 - 2323 |
| a | 11.569 ± 0.011 Å |
| b | 16.408 ± 0.016 Å |
| c | 23.63 ± 0.02 Å |
| α | 90° |
| β | 103.093 ± 0.017° |
| γ | 90° |
| Cell volume | 4369 ± 7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1043 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1073 |
| Weighted residual factors for all reflections included in the refinement | 0.1202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.821 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7104803 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210454 (current) | 2018-09-05 | cif/7/ Updating bibliography in entries 7104803-7104804, 7113452-7113453. Marking entries 7113452-7113453 as duplicates of entries 7104803-7104804. |
7113452.cif |
| 180248 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/34. |
7113452.cif |
| 173443 | 2016-01-04 | cif/ (antanas@kurmis) Updating bibliographies for multiple entries. |
7113452.cif |
| 115073 | 2014-06-02 | cif/ Adding structures of 7113452, 7113453 via cif-deposit CGI script. |
7113452.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.