Information card for entry 4514939
| Formula |
C82 H84 N2 O11 P2 |
| Calculated formula |
C82 H84 N2 O11 P2 |
| Title of publication |
Structural Diversity in Supramolecular Organization of Anionic Phosphate Monoesters: Role of Cations. |
| Authors of publication |
Santra, Biswajit; Mandal, Debdeep; Gupta, Vivek; Kalita, Pankaj; Kumar, Vierandra; Narayanan, Ramakirushnan Suriya; Dey, Atanu; Chrysochos, Nicolas; Mohammad, Akbar; Singh, Ajeet; Zimmer, Michael; Dalapati, Rana; Biswas, Shyam; Schulzke, Carola; Chandrasekhar, Vadapalli; Scheschkewitz, David; Jana, Anukul |
| Journal of publication |
ACS omega |
| Year of publication |
2019 |
| Journal volume |
4 |
| Journal issue |
1 |
| Pages of publication |
2118 - 2133 |
| a |
10.8783 ± 0.0004 Å |
| b |
17.6185 ± 0.0007 Å |
| c |
19.0112 ± 0.0007 Å |
| α |
88.647 ± 0.003° |
| β |
83.371 ± 0.003° |
| γ |
88.178 ± 0.003° |
| Cell volume |
3616.8 ± 0.2 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 |
0.0707 |
| Residual factor for significantly intense reflections |
0.0562 |
| Weighted residual factors for significantly intense reflections |
0.126 |
| Weighted residual factors for all reflections included in the refinement |
0.1325 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.074 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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