Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4038012
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4038012.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 2,4,6,8-Tetra(n-heptyl)-3^4^,3^6^,7^4^,7^6^-tetramethoxy- 1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1^4^,1^6^,5^4^,5^6^-tetrol |
---|---|
Formula | C60.5 H90 O8.5 |
Calculated formula | C60.5 H90 O8.5 |
Title of publication | One-Step Synthesis of <i>C</i><sub>2v</sub>-Symmetric Resorcin[4]arene Tetraethers. |
Authors of publication | Smith, Jordan N.; Brind, Thomasin K.; Petrie, Simon B.; Grant, Mikaela S.; Lucas, Nigel T. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
Journal volume | 85 |
Journal issue | 6 |
Pages of publication | 4574 - 4580 |
a | 15.8596 ± 0.0007 Å |
b | 18.1191 ± 0.0008 Å |
c | 20.983 ± 0.0009 Å |
α | 101.411 ± 0.004° |
β | 95.612 ± 0.004° |
γ | 107.98 ± 0.004° |
Cell volume | 5539.7 ± 0.5 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1169 |
Residual factor for significantly intense reflections | 0.0795 |
Weighted residual factors for significantly intense reflections | 0.2143 |
Weighted residual factors for all reflections included in the refinement | 0.2547 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4038012.html
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.