# Supplementary Information (SI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2025

data_F2-P1-6
_audit_creation_date              2024-06-30
_audit_creation_method            'Materials Studio'
_symmetry_space_group_name_H-M    'PNA21'
_symmetry_Int_Tables_number       33
_symmetry_cell_setting            orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x,-y,z+1/2
  x+1/2,-y+1/2,z
  -x+1/2,y+1/2,z+1/2
_cell_length_a                    15.1173
_cell_length_b                    5.6920
_cell_length_c                    15.7900
_cell_angle_alpha                 90.0000
_cell_angle_beta                  90.0000
_cell_angle_gamma                 90.0000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
H1     H     0.04421   0.75950  -0.72914   0.01267  Uiso   1.00
H3     H     0.12596   0.01246  -0.63065   0.01267  Uiso   1.00
H5     H     0.20500   0.37395  -0.68228   0.01267  Uiso   1.00
H7     H     0.06766   0.77756  -0.05793   0.01267  Uiso   1.00
H9     H     0.02407   0.49920  -0.08899   0.01267  Uiso   1.00
H11    H     0.19938   0.20512  -0.25242   0.01267  Uiso   1.00
H13    H     0.02886   0.76960  -0.21496   0.01267  Uiso   1.00
H15    H     0.14051   0.83514  -0.19368   0.01267  Uiso   1.00
H17    H     0.00876   0.91407  -0.95083   0.01267  Uiso   1.00
H19    H     0.97837   0.71823  -0.86897   0.01267  Uiso   1.00
H21    H     0.32788   0.67623  -0.99737   0.01267  Uiso   1.00
H23    H     0.24159   0.88376  -0.98583   0.01267  Uiso   1.00
H25    H     0.31352   0.82378  -0.89953   0.01267  Uiso   1.00
H27    H     0.21802   0.63793  -0.07723   0.01267  Uiso   1.00
C1     C     0.22004   0.55251  -0.92117   0.01267  Uiso   1.00
C3     C     0.11281   0.24650  -0.95685   0.01267  Uiso   1.00
C5     C     0.11696   0.17719  -0.86922   0.01267  Uiso   1.00
C7     C     0.06929   0.97590  -0.83902   0.01267  Uiso   1.00
C9     C     0.07725   0.91649  -0.75266   0.01267  Uiso   1.00
C11    C     0.12471   0.05952  -0.69765   0.01267  Uiso   1.00
C13    C     0.16972   0.25877  -0.72569   0.01267  Uiso   1.00
C15    C     0.16901   0.31349  -0.81233   0.01267  Uiso   1.00
C17    C     0.16570   0.50614  -0.06878   0.01267  Uiso   1.00
C19    C     0.19442   0.30457  -0.12626   0.01267  Uiso   1.00
C21    C     0.07944   0.62171  -0.09686   0.01267  Uiso   1.00
C23    C     0.08987   0.69639  -0.18870   0.01267  Uiso   1.00
C25    C     0.11954   0.50261  -0.24602   0.01267  Uiso   1.00
C27    C     0.27828   0.74493  -0.95270   0.01267  Uiso   1.00
N1     N     0.22056   0.49964  -0.84061   0.01267  Uiso   1.00
N3     N     0.16762   0.43554  -0.97975   0.01267  Uiso   1.00
N5     N     0.17029   0.32407  -0.21083   0.01267  Uiso   1.00
N7     N     0.01953   0.84432  -0.89239   0.01267  Uiso   1.00
O1     O     0.06606   0.15315  -0.01312   0.01267  Uiso   1.00
O3     O     0.24128   0.14182  -0.10181   0.01267  Uiso   1.00
O5     O     0.10087   0.49973  -0.32215   0.01267  Uiso   1.00
