X-ray and neutron structure of 1,8-(3,6,9-trioxaundecane-1,11-diyldioxy)-9,10-dihydro-10,10-dimethylanthracene-9-ol (P326); some pitfalls of automatic data collection
Authors of publication
Palmer, Rex A.; Potter, Brian S.; Lisgarten, John N.; Fenn, Ruth H.; Mason, Sax A.; Mills, Owen S.; Robinson, Peter M.; Watt, C. Ian F.
Journal of publication
Acta Crystallographica Section B
Year of publication
2001
Journal volume
57
Journal issue
3
Pages of publication
339 - 345
a
12.845 ± 0.005 Å
b
14.575 ± 0.003 Å
c
13.779 ± 0.002 Å
α
90°
β
117.72 ± 0.02°
γ
90°
Cell volume
2283.6 ± 1.1 Å3
Cell temperature
293 ± 2 K
Ambient diffraction temperature
293 ± 2 K
Number of distinct elements
3
Space group number
4
Hermann-Mauguin space group symbol
P 1 21 1
Hall space group symbol
P 2yb
Residual factor for all reflections
0.1001
Residual factor for significantly intense reflections
0.0619
Weighted residual factors for all reflections
0.1688
Weighted residual factors for significantly intense reflections
0.1506
Goodness-of-fit parameter for all reflections
0.908
Goodness-of-fit parameter for significantly intense reflections