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Information card for entry 2108822
Preview
| Coordinates | 2108822.cif |
|---|---|
| Structure factors | 2108822.hkl |
| Original paper (by DOI) | HTML |
| Formula | C31 H39 N O3 |
|---|---|
| Calculated formula | C31 H38.87 N O3 |
| Title of publication | Structural reasons for the formation of multicomponent products and the influence of high pressure |
| Authors of publication | Konieczny, Krzysztof A.; Bakowicz, Julia; Paliwoda, Damian; Warren, Mark R.; Ciesielski, Arkadiusz; Cyrański, Michał K.; Turowska-Tyrk, Ilona |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 3 |
| a | 5.9717 ± 0.0012 Å |
| b | 13.299 ± 0.005 Å |
| c | 31.81 ± 0.03 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2526 ± 3 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 K |
| Cell measurement pressure | 1000000 kPa |
| Ambient diffracton pressure | 1000000 kPa |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.2206 |
| Residual factor for significantly intense reflections | 0.0877 |
| Weighted residual factors for significantly intense reflections | 0.1662 |
| Weighted residual factors for all reflections included in the refinement | 0.2473 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265498 (current) | 2021-05-26 | cif/ hkl/ Adding structures of 2108805, 2108806, 2108807, 2108808, 2108809, 2108810, 2108811, 2108812, 2108813, 2108814, 2108815, 2108816, 2108817, 2108818, 2108819, 2108820, 2108821, 2108822, 2108823, 2108824, 2108825, 2108826, 2108827, 2108828, 2108829 via cif-deposit CGI script. |
2108822.cif 2108822.hkl |
All data in the COD and the database itself are dedicated to the
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CC0
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Users of the data should acknowledge the original authors of the
structural data.