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CIF Information Card
Information card for 2015311
2015310 << 2015311 >> 2015312Preview
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Coordinates |
2015311.cif |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | 13-hydroxy-13-[(triisopropylsilyl)ethynyl]pentacen-6(13H)-one |
| Formula | - C33 H34 O2 Si - |
| Calculated formula | - C33 H34 O2 Si - |
| Title of publication | A hydrogen-bonded dimer of 13-hydroxy-13-[(triisopropylsilyl)ethynyl]pentacen-6(13<i>H</i>)-one |
| Authors of publication | Boudebous, Amar; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, M.; Schaffner, S. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 5 |
| Pages of publication | o243 - o245 |
| a | 8.8875 ± 0.0003 Å |
| b | 8.991 ± 0.0003 Å |
| c | 17.6023 ± 0.0007 Å |
| α | 90.406 ± 0.002° |
| β | 92.2227 ± 0.0019° |
| γ | 105.032 ± 0.002° |
| Cell volume | 1357.19 ± 0.09 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0868 |
| Residual factor for observed reflections | 0.0465 |
| Weighted residual factors for all reflections | 0.0968 |
| Weighted residual factors for the observed reflections | 0.0643 |
| Weighted residual factors for all reflections included in the refinement | 0.0643 |
| Goodness-of-fit parameter for observed reflections | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |