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Information card for entry 4514939
Preview
| Coordinates | 4514939.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 220107 (current) | 2019-10-28 | cif/ Adding structures of 4514933, 4514934, 4514935, 4514936, 4514937, 4514938, 4514939, 4514940, 4514941 via cif-deposit CGI script. |
4514939.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.