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#                                CCDC 
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data_HTCANF
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21'
_symmetry_Int_Tables_number      4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,-z
_cell_length_a                   8.815(4)
_cell_length_b                   10.256(5)
_cell_length_c                   12.877(3)
_cell_angle_alpha                90
_cell_angle_beta                 102.27(3)
_cell_angle_gamma                90
_cell_volume                     1137.57
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 O 0.5618 0.3397 0.71
C1 C 0.4275 0.4083 0.7103
C2 C 0.3021 0.3733 0.6298
C3 C 0.1597 0.4346 0.6223
C4 C 0.1434 0.527 0.6983
C5 C 0.2691 0.5603 0.7788
C6 C 0.4176 0.507 0.7836
C7 C 0.561 0.5466 0.8657
C8 C 0.5826 0.6917 0.8851
C9 C 0.7207 0.7491 0.915
C10 C 0.8716 0.6751 0.9285
C11 C 0.8496 0.5274 0.9192
C12 C 0.7069 0.4921 0.8334
C13 C 0.6865 0.3484 0.8049
O2 O 0.254 0.6455 0.8574
C14 C 0.7356 0.8932 0.9386
O3 O 0.9603 0.7234 0.854
C15 C 0.6449 0.2636 0.8923
C16 C 0.8259 0.2914 0.7683
C17 C 0.0266 0.4039 0.5304
C18 C 0.0231 0.4942 0.4345
C19 C -0.1174 0.4664 0.3455
C20 C -0.134 0.5585 0.2511
C21 C -0.2925 0.5423 0.1757
H1 H 0.312 0.289 0.567
H2 H 0.562 0.501 0.941
H3 H 0.939 0.7 1.003
H4 H 0.843 0.485 0.992
H5 H 0.144 0.661 0.847
H6 H 0.807 0.926 0.893
H7 H 0.898 0.758 0.793
H8 H 0.643 0.165 0.871
H9 H 0.802 0.193 0.73
H10 H 0.857 0.348 0.715
H11 H 0.036 0.301 0.515
H12 H 0.125 0.477 0.404
H13 H -0.113 0.372 0.323
H14 H -0.044 0.536 0.209
H15 H -0.308 0.605 0.117
H20 H 0.034 0.563 0.7
H21 H 0.488 0.743 0.878
H22 H 0.953 0.49 0.901
H23 H 0.721 0.54 0.764
H24 H 0.631 0.954 0.918
H25 H 0.785 0.928 1.019
H26 H 0.536 0.28 0.915
H27 H 0.737 0.271 0.954
H28 H 0.922 0.281 0.824
H29 H -0.083 0.407 0.554
H30 H 0.02 0.596 0.462
H31 H -0.205 0.478 0.382
H32 H -0.111 0.657 0.282
H33 H -0.302 0.446 0.146
H34 H -0.381 0.562 0.217
O1 O 0.4382 -0.1603 0.29
C1 C 0.5725 -0.0917 0.2897
C2 C 0.6979 -0.1267 0.3702
C3 C 0.8403 -0.0654 0.3777
C4 C 0.8566 0.027 0.3017
C5 C 0.7309 0.0603 0.2212
C6 C 0.5824 0.007 0.2164
C7 C 0.439 0.0466 0.1343
C8 C 0.4174 0.1917 0.1149
C9 C 0.2793 0.2491 0.085
C10 C 0.1284 0.1751 0.0715
C11 C 0.1504 0.0274 0.0808
C12 C 0.2931 -0.0079 0.1666
C13 C 0.3135 -0.1516 0.1951
O2 O 0.746 0.1455 0.1426
C14 C 0.2644 0.3932 0.0614
O3 O 0.0397 0.2234 0.146
C15 C 0.3551 -0.2364 0.1077
C16 C 0.1741 -0.2086 0.2317
C17 C 0.9734 -0.0961 0.4696
C18 C 0.9769 -0.0058 0.5655
C19 C 1.1174 -0.0336 0.6545
C20 C 1.134 0.0585 0.7489
C21 C 1.2925 0.0423 0.8243
H1 H 0.688 -0.211 0.433
H2 H 0.438 0.001 0.059
H3 H 0.061 0.2 -0.003
H4 H 0.157 -0.015 0.008
H5 H 0.856 0.161 0.153
H6 H 0.193 0.426 0.107
H7 H 0.102 0.258 0.207
H8 H 0.357 -0.335 0.129
H9 H 0.198 -0.307 0.27
H10 H 0.143 -0.152 0.285
H11 H 0.964 -0.199 0.485
H12 H 0.875 -0.023 0.596
H13 H 1.113 -0.128 0.677
H14 H 1.044 0.036 0.791
H15 H 1.308 0.105 0.883
H20 H 0.966 0.063 0.3
H21 H 0.512 0.243 0.122
H22 H 0.047 -0.01 0.099
H23 H 0.279 0.04 0.236
H24 H 0.369 0.454 0.082
H25 H 0.215 0.428 -0.019
H26 H 0.464 -0.22 0.085
H27 H 0.263 -0.229 0.046
H28 H 0.078 -0.219 0.176
H29 H 1.083 -0.093 0.446
H30 H 0.98 0.096 0.538
H31 H 1.205 -0.022 0.618
H32 H 1.111 0.157 0.718
H33 H 1.302 -0.054 0.854
H34 H 1.381 0.062 0.783
O4 O 0.7877 0.7266 0.6508
C22 C 0.6485 0.7543 0.6343
N1 N 0.5383 0.6918 0.5655
C23 C 0.5746 0.5807 0.5058
C24 C 0.3761 0.7302 0.5508
H16 H 0.601 0.832 0.674
H17 H 0.521 0.593 0.424
H18 H 0.336 0.757 0.463
H19 H 0.375 0.814 0.599
H35 H 0.725 0.57 0.521
H36 H 0.521 0.51 0.52
H37 H 0.311 0.661 0.556
O4 O 0.2123 0.2266 0.3492
C22 C 0.3515 0.2543 0.3657
N1 N 0.4617 0.1918 0.4345
C23 C 0.4254 0.0807 0.4942
C24 C 0.6239 0.2302 0.4492
H16 H 0.399 0.332 0.326
H17 H 0.479 0.093 0.576
H18 H 0.664 0.257 0.537
H19 H 0.625 0.314 0.401
H35 H 0.275 0.07 0.479
H36 H 0.479 0.01 0.48
H37 H 0.689 0.161 0.444

#END
