Comparison of conventional and synchrotron X-ray structure determinations of the adduct 1,2,4,5-tetrahydroxybenzene‒2,5-dihydroxy-1,4-benzoquinone (1/1) and a conventional X-ray structure determination of 1,2,4,5-tetrahydroxybenzene monohydrate
Authors of publication
Jene, Paul G.; Pernin, Christopher G.; Ibers, James A.
Journal of publication
Acta Crystallographica Section C
Year of publication
2001
Journal volume
57
Journal issue
6
Pages of publication
730 - 734
a
7.382 ± 0.001 Å
b
6.065 ± 0.001 Å
c
12.197 ± 0.001 Å
α
90°
β
105.778 ± 0.001°
γ
90°
Cell volume
525.51 ± 0.12 Å3
Cell temperature
110 ± 2 K
Ambient diffraction temperature
110 ± 2 K
Number of distinct elements
3
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/n 1
Hall space group symbol
-P 2yn
Residual factor for all reflections
0.036
Residual factor for significantly intense reflections
0.031
Weighted residual factors for all reflections included in the refinement
0.113
Goodness-of-fit parameter for all reflections included in the refinement