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
12.605 ± 0.005 Å
b
14.458 ± 0.003 Å
c
13.588 ± 0.002 Å
α
90°
β
117.12 ± 0.02°
γ
90°
Cell volume
2204.1 ± 1.1 Å3
Cell temperature
15 K
Ambient diffraction temperature
15 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
0.0493
Residual factor for significantly intense reflections
0.0462
Weighted residual factors for all reflections
0.132
Weighted residual factors for significantly intense reflections
0.1184
Goodness-of-fit parameter for all reflections
0.779
Goodness-of-fit parameter for significantly intense reflections
