Information card for entry 7122386
| Formula |
C80 H84 N3 O4 P |
| Calculated formula |
C80 H84 N3 O4 P |
| Title of publication |
Neutral and anionic phosphate-diesters as molecular templates for the encapsulation of a water dimer. |
| Authors of publication |
Gupta, Vivek; Santra, Biswajit; Mandal, Debdeep; Das, Shubhajit; Narayanan, Ramakirushnan Suriya; Kalita, Pankaj; Rao, D. Krishna; Schulzke, Carola; Pati, Swapan K.; Chandrasekhar, Vadapalli; Jana, Anukul |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2018 |
| Journal volume |
54 |
| Journal issue |
84 |
| Pages of publication |
11913 - 11916 |
| a |
12.4315 ± 0.0003 Å |
| b |
12.5478 ± 0.0003 Å |
| c |
22.9017 ± 0.0005 Å |
| α |
90.892 ± 0.002° |
| β |
95.969 ± 0.002° |
| γ |
108.698 ± 0.002° |
| Cell volume |
3360.96 ± 0.14 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0581 |
| Residual factor for significantly intense reflections |
0.0432 |
| Weighted residual factors for significantly intense reflections |
0.1029 |
| Weighted residual factors for all reflections included in the refinement |
0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.076 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7122386.html
