The Top According to C3


C3 is the number of independent molecules of which the positions are searched in the cell for corresponding to an optimum by Monte Carlo, Patterson-search, Genetic Algorithm (...) methods.
C4 is the number of internal degrees of freedom (torsion angles + lengths + angles...)
C5 is the number of external degrees of freedom (usually 3 for translation + 3 for rotation ; no rotation if the fragment is one atom)
C6 is the number of torsion angles (exclusively, also included as part of the C4 criterion)

Formula            space group   C1  Nc C3 C4 C5 C6 method   radiation  hkl   con/re/straints

poly(ethylene oxide)3 LiN(SO2CF3)2
                        P21/c    37 111  3 24 15  8   MC        XC1      450      145
Li-3[Co(CN)5].2DMF      P21/n    24  72  3            MC        Sync     531   rigid DMF   
C16H22N6                P3       24  70  3          Patt-search XC1      104   rigid-body
T3R3 Zn-human insulin    R3    1630 4893 2            MB        Sync     2927     7981
(CH3(CH2)16COO)2CaH2O   P21/c    42 126  2            MB        Sync           rigid-body
Promazine Hydrochloride P21/c    41 123  2  4  9  4   GOM       Sync     271   full-constraint
thiothixene             P21      59 177  1  5  5  5   GOM       Sync     216   full-constraint
Capsaicin               P21/c    49 147  1 10  6 10   GOM       Sync     379   full-constraint
C60Br24(Br2)2           P-1      44  42  1          Grid-search Sync    1476  C60 constrained
C11H14N6                P-1      31  93  1          Packing     XC1            rigid-body
S6C24 (T6)              P21/a    30  90               G         XC12
[Si32B4O72][N(CH3)4]4   P21/a    28  84  1          ROTSEARCH   Sync+XC1 221      108
C10H16O                 Cmcm     27  81  1          Grid-search Sync      87  full restraint
S5C20 (T5)              P21/a    25  75               G         XC12
Fluorescein             Pn21a    25  75  1            MC        Sync     138       99
K7Na7Be14P14O56.20H2O   P321     25  63               MB        Sync
[HgRu(CO)4]4            P21/n    20  60  1          P-Riscon    XC12          full restraint
S4C16 (T4)              P21/a    20  60               G         XC12
C6H10N2O2               P21/n    20  30  1          AAP+PMC     XC1      186  H atoms fixed
C13H17N2O4              P21/a    19  57  1          ROTSEARCH   XC1       70  rigid-body
MeALPO-36               C-1      18  54               DLS       XC12
PEO3:LiCF3SO3           P21/a    18  54               A         XC1
1-methylfluorene        P21/n    14  52  1            MC        XC1      700   full restraint
C11H14O3 (ortho-thymotic acid)
                        P21/n    14  42  1            GA        XC1      363       36
Zr(PO4)(H2PO4).2H2O     P21      13  38               MB        XC12
CaZrTi2O7               C2/c     13  32               MB        XC12
C18H12O2N2Cu            P21/c    12  36  1          PATSEE      XC1      496   H atoms fixed
gamma-3-ClC6H4CHCHCO2H  P21/a    12  36  1            MC        XC1      368   soft constraints
C10H140                 P212121  11  33  1          ROTSEARCH   XC12+XC1  96   rigid-body
X-form metal-free phtalocyanine
                        P21/a     ?   5  1            MM        Sync     237   full-constraint
NaClCH2CO2              P21/a     6  18  1            MC        Sync     296     none  
CFCL3                   Pbca      5  15  1            MM        N                none

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GOM = Global Optimization Method (Simulated Annealing + Genetic Algorithm + ...)
MB = Molecular Building
G = Guessed
MC = Monte Carlo
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Armel Le Bail