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CIF Information Card
Information card for 7108712
7108711 << 7108712 >> 7108713Preview
|
Coordinates |
7108712.cif |
Structure parameters
| Formula | - C30 H46 B2 O6 Si2 - |
| Calculated formula | - C30 H46 B2 O6 Si2 - |
| Title of publication | Synthesis of borasiloxane-based macrocycles by multicomponent condensation reactions in solution or in a ball mill |
| Authors of publication | Mirela Pascu; Albert Ruggi; Rosario Scopelliti; Kay Severin |
| Journal of publication | Chem.Commun. |
| Year of publication | 2013 |
| Journal volume | 49 |
| Pages of publication | 45 |
| a | 8.4713 ± 0.0009 Å |
| b | 10.5851 ± 0.0007 Å |
| c | 10.672 ± 0.0011 Å |
| α | 109.911 ± 0.007° |
| β | 94.902 ± 0.008° |
| γ | 109.903 ± 0.007° |
| Cell volume | 823.76 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0682 |
| Residual factor for observed reflections | 0.0485 |
| Weighted residual factors for the observed reflections | 0.1089 |
| Weighted residual factors for all reflections included in the refinement | 0.1194 |
| Goodness-of-fit parameter for observed reflections | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |