# Electronic Supplementary Material (ESI) for RSC Advances
# This journal is © The Royal Society of Chemistry 2013


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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
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#  fide research purposes only. It may contain copyright material 
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data_vic
_database_code_depnum_ccdc_archive 'CCDC 897799'
#TrackingRef '13463_web_deposit_cif_file_0_JamesMcNulty_1345647836.vic.cif'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+z
_cell_length_a                   15.1941(4)
_cell_length_b                   7.6766(2)
_cell_length_c                   11.1038(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.5040(10)
_cell_angle_gamma                90.00
_cell_volume                     1273.43
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 O 0.07061(8) 0.12840(17) 0.73815(14)
C2 C 0.14259(12) 0.0742(2) 0.82065(18)
N3 N 0.20077(10) 0.20560(18) 0.84593(15)
H3 H 0.2485(16) 0.194(3) 0.896(2)
C4 C 0.17400(10) 0.3602(2) 0.77453(16)
C5 C 0.07719(12) 0.3111(3) 0.7182(2)
H5B H 0.0387(17) 0.361(3) 0.762(2)
H5A H 0.0660(16) 0.329(3) 0.635(3)
C6 C 0.22830(11) 0.3795(3) 0.67270(17)
H6B H 0.2202(13) 0.275(2) 0.615(2)
H6A H 0.2136(14) 0.490(3) 0.626(2)
C7 C 0.38046(11) 0.3676(2) 0.65354(16)
C8 C 0.47504(11) 0.3734(2) 0.71749(17)
C9 C 0.49909(14) 0.3754(3) 0.8431(2)
H9 H 0.4549(17) 0.384(3) 0.891(3)
C10 C 0.58887(15) 0.3805(4) 0.8962(2)
H10 H 0.609(2) 0.388(4) 0.986(3)
C11 C 0.65365(14) 0.3836(3) 0.8247(2)
H11 H 0.7212(19) 0.375(3) 0.860(3)
C12 C 0.63026(14) 0.3804(3) 0.7001(2)
H12 H 0.6716(19) 0.379(3) 0.648(3)
C13 C 0.54102(13) 0.3748(3) 0.6464(2)
H13 H 0.5242(16) 0.376(3) 0.557(3)
C14 C 0.17964(13) 0.5239(3) 0.85264(18)
H14B H 0.1577(14) 0.617(3) 0.805(2)
H14A H 0.2407(18) 0.552(3) 0.882(2)
N15 N 0.13687(12) 0.4901(2) 0.95915(16)
N16 N 0.10664(11) 0.6161(2) 1.00487(15)
N17 N 0.07767(19) 0.7203(3) 1.0574(2)
O18 O 0.35795(9) 0.3475(2) 0.54492(12)
O19 O 0.32173(8) 0.38775(16) 0.72916(11)
O20 O 0.14994(11) -0.0717(2) 0.86120(19)
#END