# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_FLR-AMN
_database_code_depnum_ccdc_archive 'CCDC 2192760'
loop_
_audit_author_name
_audit_author_address
'UTSAB MANNA'
;Indian Association for the Cultivation of Science
India
;
_audit_update_record             
;
2022-07-26 deposited with the CCDC.	2023-02-20 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C15 H12 F O2, C10 H18 N'
_chemical_formula_sum            'C25 H30 F N O2'
_chemical_formula_weight         395.50

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   6.3673(13)
_cell_length_b                   16.941(3)
_cell_length_c                   19.629(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2117.3(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    145(2)
_cell_measurement_reflns_used    3817
_cell_measurement_theta_min      2.40
_cell_measurement_theta_max      25.06

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.241
_exptl_crystal_F_000             848
_exptl_transmission_factor_min   0.997
_exptl_transmission_factor_max   0.998
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.030
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    0.084
_shelx_estimated_absorpt_T_min   0.990
_shelx_estimated_absorpt_T_max   0.998
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      145(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19709
_diffrn_reflns_av_unetI/netI     0.0825
_diffrn_reflns_av_R_equivalents  0.1071
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.398
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_full        24.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             3739
_reflns_number_gt                2655
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.725
_reflns_Friedel_fraction_max     1.000
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²+9.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 736 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.7(10)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         3739
_refine_ls_number_parameters     261
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.2053
_refine_ls_R_factor_gt           0.1653
_refine_ls_wR_factor_ref         0.4309
_refine_ls_wR_factor_gt          0.3936
_refine_ls_goodness_of_fit_ref   1.198
_refine_ls_restrained_S_all      1.199
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
F1A F 0.363(3) 0.6934(14) 0.6513(9) 0.067(4) Uani 0.4545 1 d . . P A 1
O1A O 0.4714(18) 0.6290(8) 0.9086(6) 0.0234(15) Uani 0.6 1 d . . P B 1
O2A O 0.1682(19) 0.6646(7) 0.9580(6) 0.0234(15) Uani 0.6 1 d . . P B 1
C13 C 0.157(3) 0.5722(7) 0.8666(7) 0.046(4) Uani 1 1 d . . . C 1
H13 H 0.020447 0.557142 0.887935 0.055 Uiso 1 1 calc R U . C 1
C14 C 0.263(3) 0.4983(8) 0.8488(7) 0.059(4) Uani 1 1 d . . . C 1
H14A H 0.257821 0.462176 0.887774 0.089 Uiso 1 1 calc R U . C 1
H14B H 0.409174 0.509120 0.836832 0.089 Uiso 1 1 calc R U . C 1
H14C H 0.191167 0.474032 0.809833 0.089 Uiso 1 1 calc R U . C 1
C23A C 0.379(2) 0.8987(10) 0.8138(9) 0.072(6) Uani 1 1 d D . . D 1
H23A H 0.479724 0.885646 0.776406 0.086 Uiso 1 1 calc R U . D 1
F1B F -0.320(3) 0.7322(12) 0.7347(7) 0.067(4) Uani 0.5455 1 d . . P E 2
O1B O 0.327(3) 0.6637(11) 0.9630(8) 0.0234(15) Uani 0.4 1 d . . P B 2
O2B O 0.034(3) 0.6289(11) 0.9128(8) 0.0234(15) Uani 0.4 1 d . . P B 2
C21B C 0.037(2) 0.8521(7) 0.8968(7) 0.048(3) Uani 1 1 d . . . F 2
H21A H 0.035531 0.796140 0.882152 0.057 Uiso 1 1 calc R U . F 2
H21B H -0.075133 0.858401 0.931424 0.057 Uiso 1 1 calc R U . F 2
C9 C 0.2440(19) 0.6387(6) 0.7551(5) 0.027(2) Uani 1 1 d . . . . .
H9 H 0.377655 0.614543 0.760393 0.033 Uiso 1 1 calc R U . . .
C12 C -0.140(2) 0.7068(10) 0.7385(6) 0.049(4) Uani 1 1 d . . . . .
C8 C 0.219(2) 0.6835(7) 0.7001(6) 0.039(3) Uani 1 1 d . . . . .
H8 H 0.331709 0.691349 0.669167 0.047 Uiso 1 1 calc R U . A 2
C10 C 0.1032(19) 0.6237(8) 0.8039(6) 0.037(3) Uani 1 1 d . . . . .
C11 C -0.095(2) 0.6568(8) 0.7945(6) 0.037(3) Uani 1 1 d . . . . .
H11 H -0.202179 0.645647 0.826572 0.045 Uiso 1 1 calc R U . . .
C4 C -0.254(2) 0.8095(8) 0.5339(6) 0.043(3) Uani 1 1 d . . . . .
H4 H -0.380566 0.804875 0.508455 0.052 Uiso 1 1 calc R U . . .
C7 C 0.021(2) 0.7194(8) 0.6881(6) 0.036(3) Uani 1 1 d . . . . .
C5 C -0.226(2) 0.7640(8) 0.5914(6) 0.044(3) Uani 1 1 d . . . . .
H5 H -0.332243 0.729045 0.606757 0.053 Uiso 1 1 calc R U . . .
C6 C -0.030(2) 0.7708(8) 0.6277(6) 0.042(3) Uani 1 1 d . . . . .
C1 C 0.127(3) 0.8243(9) 0.6066(7) 0.058(4) Uani 1 1 d . . . . .
H1 H 0.254391 0.828762 0.631600 0.069 Uiso 1 1 calc R U . . .
C2 C 0.094(3) 0.8713(10) 0.5482(8) 0.067(5) Uani 1 1 d . . . . .
H2 H 0.197073 0.907829 0.533282 0.080 Uiso 1 1 calc R U . . .
C3 C -0.098(3) 0.8627(10) 0.5124(8) 0.067(5) Uani 1 1 d . . . . .
H3 H -0.121590 0.893727 0.472838 0.080 Uiso 1 1 calc R U . . .
C15 C 0.264(2) 0.6250(6) 0.9157(5) 0.027(2) Uani 1 1 d . . . . .
N1 N 0.2575(14) 0.8199(4) 0.9938(4) 0.0184(17) Uani 1 1 d . . . . .
H1A H 0.145005 0.831156 1.020740 0.022 Uiso 1 1 calc R U . . .
H1B H 0.378083 0.830819 1.016873 0.022 Uiso 1 1 calc R U . . .
H1C H 0.255146 0.767913 0.982327 0.022 Uiso 1 1 calc R U . . .
C16 C 0.2481(18) 0.8690(6) 0.9308(5) 0.023(2) Uani 1 1 d . . . . .
C17 C 0.249(3) 0.9555(7) 0.9515(7) 0.048(3) Uani 1 1 d . . . . .
H17A H 0.125952 0.966746 0.980873 0.057 Uiso 1 1 calc R U . . .
H17B H 0.377755 0.967552 0.977579 0.057 Uiso 1 1 calc R U . . .
C18 C 0.240(5) 1.0063(8) 0.8881(8) 0.082(7) Uani 1 1 d . . . . .
H18 H 0.244880 1.063130 0.901615 0.098 Uiso 1 1 calc R U . . .
C22 C 0.425(3) 0.8499(8) 0.8817(8) 0.072(6) Uani 1 1 d D . . . .
H22A H 0.427635 0.792609 0.871883 0.087 Uiso 1 1 calc R U . D 1
H22B H 0.561550 0.865443 0.901432 0.087 Uiso 1 1 calc R U . D 1
C25 C 0.155(2) 0.8884(9) 0.7928(10) 0.069(5) Uani 1 1 d . . . . .
H25A H 0.134196 0.922707 0.752593 0.083 Uiso 1 1 calc R U . D 1
H25B H 0.142138 0.833318 0.776470 0.083 Uiso 1 1 calc R U . D 1
C24 C 0.410(6) 0.9898(11) 0.8428(12) 0.128(12) Uani 1 1 d . . . . .
H24A H 0.545374 0.994439 0.867279 0.154 Uiso 1 1 calc R U . D 1
H24B H 0.409819 1.027780 0.804536 0.154 Uiso 1 1 calc R U . D 1
C19 C 0.029(5) 0.9894(11) 0.8525(12) 0.137(14) Uani 1 1 d . . . . .
H19A H 0.025567 1.019249 0.809186 0.164 Uiso 1 1 calc R U . . .
H19B H -0.085437 1.010222 0.881647 0.164 Uiso 1 1 calc R U . . .
C20 C -0.019(2) 0.9020(11) 0.8368(8) 0.060(5) Uani 1 1 d . . . . .
H20 H -0.159621 0.891434 0.816346 0.071 Uiso 1 1 calc R U . F 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
F1A C8 1.33(2) . ?
O1A C15 1.329(17) . ?
O2A C15 1.230(16) . ?
C13 C14 1.46(2) . ?
C13 C15 1.480(16) . ?
C13 C10 1.549(18) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C23A C25 1.49(2) . ?
C23A C22 1.595(18) . ?
C23A C24 1.66(3) . ?
C23A H23A 1.0000 . ?
F1B C12 1.22(2) . ?
O1B C15 1.20(2) . ?
O2B C15 1.47(2) . ?
C21B C20 1.491(17) . ?
C21B C16 1.530(17) . ?
C21B H21A 0.9900 . ?
C21B H21B 0.9900 . ?
C9 C8 1.331(17) . ?
C9 C10 1.335(16) . ?
C9 H9 0.9500 . ?
C12 C11 1.417(18) . ?
C12 C7 1.443(18) . ?
C8 C7 1.417(18) . ?
C8 H8 0.9500 . ?
C10 C11 1.391(17) . ?
C11 H11 0.9500 . ?
C4 C5 1.380(17) . ?
C4 C3 1.41(2) . ?
C4 H4 0.9500 . ?
C7 C6 1.506(17) . ?
C5 C6 1.440(19) . ?
C5 H5 0.9500 . ?
C6 C1 1.41(2) . ?
C1 C2 1.41(2) . ?
C1 H1 0.9500 . ?
C2 C3 1.41(3) . ?
C2 H2 0.9500 . ?
C3 H3 0.9500 . ?
N1 C16 1.492(12) . ?
N1 H1A 0.9100 . ?
N1 H1B 0.9100 . ?
N1 H1C 0.9100 . ?
C16 C22 1.515(17) . ?
C16 C17 1.520(15) . ?
C17 C18 1.514(18) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C24 1.43(3) . ?
C18 C19 1.54(3) . ?
C18 H18 1.0000 . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C25 C20 1.42(2) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C19 C20 1.54(3) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20 1.0000 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C14 C13 C15 117.6(13) . . ?
C14 C13 C10 113.2(11) . . ?
C15 C13 C10 106.3(10) . . ?
C14 C13 H13 106.4 . . ?
C15 C13 H13 106.4 . . ?
C10 C13 H13 106.4 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C25 C23A C22 110.1(13) . . ?
C25 C23A C24 108.5(17) . . ?
C22 C23A C24 100.0(15) . . ?
C25 C23A H23A 112.5 . . ?
C22 C23A H23A 112.5 . . ?
C24 C23A H23A 112.5 . . ?
C20 C21B C16 116.4(12) . . ?
C20 C21B H21A 108.2 . . ?
C16 C21B H21A 108.2 . . ?
C20 C21B H21B 108.2 . . ?
C16 C21B H21B 108.2 . . ?
H21A C21B H21B 107.3 . . ?
C8 C9 C10 127.6(12) . . ?
C8 C9 H9 116.2 . . ?
C10 C9 H9 116.2 . . ?
F1B C12 C11 116.7(13) . . ?
F1B C12 C7 124.8(14) . . ?
C11 C12 C7 118.3(13) . . ?
C9 C8 F1A 124.8(14) . . ?
C9 C8 C7 119.1(11) . . ?
F1A C8 C7 115.9(13) . . ?
C9 C8 H8 120.4 . . ?
C7 C8 H8 120.4 . . ?
C9 C10 C11 115.8(12) . . ?
C9 C10 C13 121.8(11) . . ?
C11 C10 C13 122.3(12) . . ?
C10 C11 C12 122.0(12) . . ?
C10 C11 H11 119.0 . . ?
C12 C11 H11 119.0 . . ?
C5 C4 C3 120.6(14) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C8 C7 C12 117.1(11) . . ?
C8 C7 C6 124.7(11) . . ?
C12 C7 C6 118.2(12) . . ?
C4 C5 C6 118.3(13) . . ?
C4 C5 H5 120.9 . . ?
C6 C5 H5 120.9 . . ?
C1 C6 C5 121.3(12) . . ?
C1 C6 C7 116.7(12) . . ?
C5 C6 C7 121.9(12) . . ?
C6 C1 C2 119.5(16) . . ?
C6 C1 H1 120.2 . . ?
C2 C1 H1 120.2 . . ?
C1 C2 C3 118.4(16) . . ?
C1 C2 H2 120.8 . . ?
C3 C2 H2 120.8 . . ?
C4 C3 C2 121.8(14) . . ?
C4 C3 H3 119.1 . . ?
C2 C3 H3 119.1 . . ?
O2A C15 O1A 122.4(11) . . ?
O1B C15 O2B 109.7(14) . . ?
O2A C15 C13 122.8(13) . . ?
O1A C15 C13 114.8(11) . . ?
C16 N1 H1A 109.5 . . ?
C16 N1 H1B 109.5 . . ?
H1A N1 H1B 109.5 . . ?
C16 N1 H1C 109.5 . . ?
H1A N1 H1C 109.5 . . ?
H1B N1 H1C 109.5 . . ?
N1 C16 C22 112.2(9) . . ?
N1 C16 C17 108.4(8) . . ?
C22 C16 C17 112.0(11) . . ?
N1 C16 C21B 107.0(9) . . ?
C22 C16 C21B 109.6(11) . . ?
C17 C16 C21B 107.4(10) . . ?
C18 C17 C16 109.2(10) . . ?
C18 C17 H17A 109.8 . . ?
C16 C17 H17A 109.8 . . ?
C18 C17 H17B 109.8 . . ?
C16 C17 H17B 109.8 . . ?
H17A C17 H17B 108.3 . . ?
C24 C18 C17 111.8(18) . . ?
C24 C18 C19 110.1(19) . . ?
C17 C18 C19 107.5(18) . . ?
C24 C18 H18 109.1 . . ?
C17 C18 H18 109.1 . . ?
C19 C18 H18 109.1 . . ?
C16 C22 C23A 106.6(12) . . ?
C16 C22 H22A 110.4 . . ?
C23A C22 H22A 110.4 . . ?
C16 C22 H22B 110.4 . . ?
C23A C22 H22B 110.4 . . ?
H22A C22 H22B 108.6 . . ?
C20 C25 C23A 123.8(17) . . ?
C20 C25 H25A 106.4 . . ?
C23A C25 H25A 106.4 . . ?
C20 C25 H25B 106.4 . . ?
C23A C25 H25B 106.4 . . ?
H25A C25 H25B 106.5 . . ?
C18 C24 C23A 107.8(18) . . ?
C18 C24 H24A 110.1 . . ?
C23A C24 H24A 110.1 . . ?
C18 C24 H24B 110.1 . . ?
C23A C24 H24B 110.1 . . ?
H24A C24 H24B 108.5 . . ?
C18 C19 C20 116.0(15) . . ?
C18 C19 H19A 108.3 . . ?
C20 C19 H19A 108.3 . . ?
C18 C19 H19B 108.3 . . ?
C20 C19 H19B 108.3 . . ?
H19A C19 H19B 107.4 . . ?
C25 C20 C21B 101.8(13) . . ?
C25 C20 C19 97.2(18) . . ?
C21B C20 C19 109.9(14) . . ?
C25 C20 H20 115.3 . . ?
C21B C20 H20 115.3 . . ?
C19 C20 H20 115.3 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C10 C9 C8 F1A -176.7(16) . . . . ?
C10 C9 C8 C7 -1.8(18) . . . . ?
C8 C9 C10 C11 2.3(18) . . . . ?
C8 C9 C10 C13 -178.0(11) . . . . ?
C14 C13 C10 C9 -47.9(18) . . . . ?
C15 C13 C10 C9 82.6(15) . . . . ?
C14 C13 C10 C11 131.8(15) . . . . ?
C15 C13 C10 C11 -97.7(15) . . . . ?
C9 C10 C11 C12 -3.2(18) . . . . ?
C13 C10 C11 C12 177.1(12) . . . . ?
F1B C12 C11 C10 179.3(16) . . . . ?
C7 C12 C11 C10 3.6(19) . . . . ?
C9 C8 C7 C12 2.0(17) . . . . ?
F1A C8 C7 C12 177.3(15) . . . . ?
C9 C8 C7 C6 -179.4(12) . . . . ?
F1A C8 C7 C6 -4(2) . . . . ?
F1B C12 C7 C8 -178.2(16) . . . . ?
C11 C12 C7 C8 -2.9(18) . . . . ?
F1B C12 C7 C6 3(2) . . . . ?
C11 C12 C7 C6 178.4(12) . . . . ?
C3 C4 C5 C6 -1.7(19) . . . . ?
C4 C5 C6 C1 2.1(19) . . . . ?
C4 C5 C6 C7 -175.7(12) . . . . ?
C8 C7 C6 C1 -40.3(19) . . . . ?
C12 C7 C6 C1 138.3(13) . . . . ?
C8 C7 C6 C5 137.6(13) . . . . ?
C12 C7 C6 C5 -43.8(18) . . . . ?
C5 C6 C1 C2 -1(2) . . . . ?
C7 C6 C1 C2 176.8(13) . . . . ?
C6 C1 C2 C3 0(2) . . . . ?
C5 C4 C3 C2 0(2) . . . . ?
C1 C2 C3 C4 1(2) . . . . ?
C14 C13 C15 O2A -144.4(14) . . . . ?
C10 C13 C15 O2A 87.6(15) . . . . ?
C14 C13 C15 O1A 38.6(17) . . . . ?
C10 C13 C15 O1A -89.4(13) . . . . ?
C20 C21B C16 N1 173.0(12) . . . . ?
C20 C21B C16 C22 -65.1(15) . . . . ?
C20 C21B C16 C17 56.8(16) . . . . ?
N1 C16 C17 C18 179.9(15) . . . . ?
C22 C16 C17 C18 55.6(18) . . . . ?
C21B C16 C17 C18 -64.8(18) . . . . ?
C16 C17 C18 C24 -57(2) . . . . ?
C16 C17 C18 C19 64(2) . . . . ?
N1 C16 C22 C23A 173.4(11) . . . . ?
C17 C16 C22 C23A -64.5(15) . . . . ?
C25 C23A C22 C16 -47.8(17) . . . . ?
C24 C23A C22 C16 66.3(18) . . . . ?
C22 C23A C25 C20 53(2) . . . . ?
C24 C23A C25 C20 -55.8(19) . . . . ?
C17 C18 C24 C23A 66(2) . . . . ?
C19 C18 C24 C23A -53(2) . . . . ?
C25 C23A C24 C18 46(2) . . . . ?
C22 C23A C24 C18 -69(2) . . . . ?
C24 C18 C19 C20 68(2) . . . . ?
C17 C18 C19 C20 -54(3) . . . . ?
C23A C25 C20 C19 59.1(17) . . . . ?
C16 C21B C20 C25 56.7(17) . . . . ?
C16 C21B C20 C19 -45(2) . . . . ?
C18 C19 C20 C25 -61(2) . . . . ?
C18 C19 C20 C21B 44(3) . . . . ?

_refine_diff_density_max         1.298
_refine_diff_density_min         -0.548
_refine_diff_density_rms         0.162


# start Validation Reply Form
_vrf_PLAT082_FLR-AMN             
;
PROBLEM: High R1 Value ..................................       0.17 Report
RESPONSE: Single crystals diffracted extremely weakly and multiple 
attempts were made growing better diffracting crystals.The 
alert is due to poor quality data and situation did not 
improve even after recrystallisation and fresh data collection.
;
_vrf_PLAT084_FLR-AMN             
;
PROBLEM: High wR2 Value (i.e. > 0.25) ...................       0.43 Report
RESPONSE: Single crystals diffracted extremely weakly and multiple 
attempts were made growing better diffracting crystals.The high 
R factor is due to the weak diffraction and the alert is due to 
poor quality data and it did not even improve after recollection 
of fresh data. 
;
_vrf_PLAT097_FLR-AMN             
;
PROBLEM: Large Reported Max.  (Positive) Residual Density       1.30 eA-3  
RESPONSE: We were unable to find out suitable model for the 
smeared electron densities in the e-map.
;
_vrf_PLAT241_FLR-AMN             
;
PROBLEM: High   'MainMol' Ueq as Compared to Neighbors of        C19 Check 
RESPONSE:  Although few atoms in the crystal were still not 
ideally shaped, this does not indicate incorrect atom-type 
assignment.This alert is due to disorder in crystal and we were
unable to find more reliable model due to poor data quality.
;
_vrf_PLAT340_FLR-AMN             
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02125 Ang.  
RESPONSE: Multiple attempts were made for growing better 
diffracting crystals ,however it diffracted extremely weakly.
This alert is also due to poor data quality.
;
# end Validation Reply Form
