Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2015243
2015242 << 2015243 >> 2015244Preview
|
Coordinates |
2015243.cif |
|
Structure factors |
2015243.hkl |
|
Original IUCr paper |
HTML |
Structure parameters
| Chemical name | brucinium N-phthaloyl-\b-alaninate 5.67-hydrate |
| Formula | - C34 H46.34 N3 O13.67 - |
| Calculated formula | - C34 H46.34 N3 O13.67 - |
| Title of publication | Strychninium <i>N</i>-phthaloyl-β-alaninate <i>N</i>-phthaloyl-β-alanine and brucinium <i>N</i>-phthaloyl-β-alaninate 5.67-hydrate |
| Authors of publication | Agata Białońska; Zbigniew Ciunik |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 4 |
| Pages of publication | o182 - o185 |
| a | 11.527 ± 0.002 Å |
| b | 7.669 ± 0.0013 Å |
| c | 19.5 ± 0.003 Å |
| α | 90° |
| β | 94.832 ± 0.014° |
| γ | 90° |
| Cell volume | 1717.7 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for all reflections | 0.1504 |
| Residual factor for observed reflections | 0.0776 |
| Weighted residual factors for the observed reflections | 0.0935 |
| Weighted residual factors for all reflections included in the refinement | 0.1143 |
| Goodness-of-fit parameter for observed reflections | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |