TITL lobo001_a.res in P2(1)/n
    lobo001.res
    created by SHELXL-2018/3 at 09:37:17 on 04-Nov-2019
CELL 0.71073 3.7404 9.8818 14.8004 90.000 92.532 90.000
ZERR 2.00 0.0003 0.0009 0.0012 0.000 0.002 0.000
LATT 1
SYMM -x+1/2, y+1/2, -z+1/2
SFAC C H O
UNIT 24 20 12
LIST 4
TEMP -166.920
SIZE 0.162 0.203 0.381
L.S. 10
ACTA
CONF
FMAP 2
PLAN -15 0 0.00
BOND $H
WGHT    0.086000    0.062100
FVAR       1.12357
O1    3    0.320542    0.523629    0.634103    11.00000    0.02271    0.01303 =
         0.01608    0.00132   -0.00120   -0.00152
O2    3    0.633597    0.677039    0.719099    11.00000    0.02658    0.01819 =
         0.01415    0.00021   -0.00475   -0.00099
O3    3    0.529165    0.865798    0.582468    11.00000    0.02054    0.01251 =
         0.01139    0.00042   -0.00162   -0.00021
C1    1    0.363611    0.429101    0.708634    11.00000    0.02548    0.01772 =
         0.02150    0.00709   -0.00067   -0.00186
C2    1    0.468509    0.645595    0.649765    11.00000    0.01677    0.01280 =
         0.01289    0.00027    0.00048    0.00120
C3    1    0.406967    0.735349    0.571973    11.00000    0.01768    0.01240 =
         0.01223    0.00000   -0.00049    0.00002
C4    1    0.252778    0.717040    0.487282    11.00000    0.01943    0.01457 =
         0.01343   -0.00063   -0.00133   -0.00053
C5    1    0.279986    0.843485    0.441663    11.00000    0.02085    0.01609 =
         0.01215   -0.00004   -0.00235    0.00012
C6    1    0.448603    0.929850    0.502325    11.00000    0.01813    0.01384 =
         0.01094    0.00096   -0.00083    0.00083
H1    2    0.234150    0.462219    0.759439    11.00000    0.02665
H2    2    0.257963    0.348639    0.686797    11.00000    0.03608
H3    2    0.606247    0.413450    0.720516    11.00000    0.02967
H4    2    0.151972    0.637621    0.465934    11.00000    0.02286
H5    2    0.200994    0.865068    0.379057    11.00000    0.02602
HKLF 4 1 1 0 0 0 1 0 0 0 1




REM  lobo001_a.res in P2(1)/n
REM wR2 = 0.1186, GooF = S = 1.021, Restrained GooF = 1.021 for all data
REM R1 = 0.0398 for 2143 Fo > 4sig(Fo) and 0.0429 for all 2396 data
REM 102 parameters refined using 0 restraints

END  
     
WGHT      0.0766      0.0711 

REM Highest difference peak  0.617,  deepest hole -0.225,  1-sigma level  0.070
Q1    1   0.4391  0.6950  0.6146  11.00000  0.05    0.62
Q2    1   0.5000  1.0000  0.5000  10.50000  0.05    0.60
Q3    1   0.2685  0.7747  0.4616  11.00000  0.05    0.55
Q4    1   0.3466  0.7254  0.5283  11.00000  0.05    0.52
Q5    1   0.3510  0.8942  0.4729  11.00000  0.05    0.51
Q6    1   0.5490  0.6604  0.6867  11.00000  0.05    0.40
Q7    1   0.4743  0.8059  0.5788  11.00000  0.05    0.39
Q8    1   0.3930  0.5848  0.6438  11.00000  0.05    0.36
Q9    1   0.6167  0.6813  0.7759  11.00000  0.05    0.28
Q10   1   0.3630  0.4799  0.6735  11.00000  0.05    0.21
Q11   1   0.2806  0.6306  0.5531  11.00000  0.05    0.17
Q12   1   0.3566  0.4654  0.7443  11.00000  0.05    0.16
Q13   1   0.5243  0.4595  0.7913  11.00000  0.05    0.15
Q14   1   0.6842  0.8864  0.6575  11.00000  0.05    0.14
Q15   1   0.1527  0.9216  0.3497  11.00000  0.05    0.12
