Crystal structure and absolute configuration of (3a<i>S</i>,4<i>S</i>,5<i>R</i>,7a<i>R</i>)-2,2,7-trimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxole-4,5-diol
Authors of publication
Macías, Mario A.; Suescun, Leopoldo; Pandolfi, Enrique; Schapiro, Valeria; Tibhe, Gaurao D.; Mombrú, Álvaro W.
Journal of publication
Acta Crystallographica Section E
Year of publication
2015
Journal volume
71
Journal issue
9
Pages of publication
1013 - 1016
a
6.123 ± 0.0013 Å
b
7.5163 ± 0.0017 Å
c
23.347 ± 0.005 Å
α
90°
β
90°
γ
90°
Cell volume
1074.5 ± 0.4 Å3
Cell temperature
293.15 K
Ambient diffraction temperature
293.15 K
Number of distinct elements
3
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
0.0295
Residual factor for significantly intense reflections
0.0294
Weighted residual factors for significantly intense reflections
0.0775
Weighted residual factors for all reflections included in the refinement
0.0776
Goodness-of-fit parameter for all reflections included in the refinement