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

####################################################################### 
# 
# 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_a3
_database_code_depnum_ccdc_archive 'CCDC 2477020'
loop_
_audit_author_name
_audit_author_address
Wang
;changzhou university
China
;
_audit_update_record             
;
2025-07-30 deposited with the CCDC.	2025-09-22 downloaded from the CCDC.
;
_audit_creation_date             2024-07-26
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C18 H22 F3 N O4'
_chemical_formula_sum            'C18 H22 F3 N O4'
_chemical_formula_weight         373.36
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.644(4)
_cell_length_b                   5.2728(9)
_cell_length_c                   18.686(4)
_cell_angle_alpha                90
_cell_angle_beta                 90.141(6)
_cell_angle_gamma                90
_cell_volume                     1836.9(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2928
_cell_measurement_temperature    193.00
_cell_measurement_theta_max      25.17
_cell_measurement_theta_min      2.44
_shelx_estimated_absorpt_T_max   0.991
_shelx_estimated_absorpt_T_min   0.985
_exptl_absorpt_coefficient_mu    0.114
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6056
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1034 before and 0.0590 after correction.
The Ratio of minimum to maximum transmission is 0.8127.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             784
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0756
_diffrn_reflns_av_unetI/netI     0.0766
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            12437
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.211
_diffrn_reflns_theta_max         25.211
_diffrn_reflns_theta_min         2.180
_diffrn_ambient_temperature      193.00
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.41
_diffrn_detector_type            'Bruker PHOTON II'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 VENTURE TXS PHOTON II'
_diffrn_measurement_method       'ω and φ shutterless scans'
_diffrn_measurement_specimen_support 'nylon loop'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_probe          X-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   TXS
_diffrn_source_current           40.0
_diffrn_source_power             1.8
_diffrn_source_type              'Rotaing Anode'
_diffrn_source_voltage           45.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2204
_reflns_number_total             3305
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (Bruker, 2019)'
_computing_data_collection       'APEX5 V2023.9-2 (Bruker, 2023)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXD  (Sheldrick, 2008)'
_refine_diff_density_max         0.337
_refine_diff_density_min         -0.245
_refine_diff_density_rms         0.060
_refine_ls_extinction_coef       0.012(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     241
_refine_ls_number_reflns         3305
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1109
_refine_ls_R_factor_gt           0.0647
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0750P)²+1.1691P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1464
_refine_ls_wR_factor_ref         0.1763
_refine_special_details          
;
 Refined as a 2-component twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.591(2)
 0.409(2)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3.a Ternary CH refined with riding coordinates:
 C12(H12)
3.b Secondary CH2 refined with riding coordinates:
 C11(H11A,H11B)
3.c Aromatic/amide H refined with riding coordinates:
 N1(H1), C4(H4), C5(H5), C3(H3), C7(H7), C1(H1A), C2(H2)
3.d Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C16(H16A,H16B,H16C), C10(H10A,H10B,H10C), C18(H18A,H18B,
 H18C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
F2 F 0.3189(2) -0.9398(6) 0.14670(18) 0.0726(11) Uani 1 1 d . . . . .
O4 O 0.37906(19) -0.5369(6) -0.07053(19) 0.0456(9) Uani 1 1 d . . . . .
N1 N 0.3119(2) -0.6346(7) 0.0211(2) 0.0421(10) Uani 1 1 d . . . . .
H1 H 0.320171 -0.791303 0.007174 0.050 Uiso 1 1 calc R U . . .
O1 O 0.1784(2) -0.8716(6) -0.05918(18) 0.0503(10) Uani 1 1 d . . . . .
F3 F 0.37414(17) -0.5835(7) 0.15646(19) 0.0760(11) Uani 1 1 d . . . . .
F1 F 0.27397(18) -0.6418(7) 0.20960(16) 0.0645(10) Uani 1 1 d . . . . .
C6 C 0.0906(2) -0.2299(8) 0.1069(3) 0.0371(11) Uani 1 1 d . . . . .
O3 O 0.3310(2) -0.2193(6) -0.0043(2) 0.0546(10) Uani 1 1 d . . . . .
C4 C 0.0217(3) 0.1131(9) 0.1605(3) 0.0455(13) Uani 1 1 d . . . . .
H4 H -0.014957 0.237526 0.156387 0.055 Uiso 1 1 calc R U . . .
C14 C 0.3392(3) -0.4391(9) -0.0170(3) 0.0426(12) Uani 1 1 d . . . . .
C11 C 0.1947(2) -0.7100(8) 0.0779(3) 0.0338(10) Uani 1 1 d . . . . .
H11A H 0.199688 -0.887729 0.061589 0.041 Uiso 1 1 calc R U . . .
H11B H 0.172075 -0.712530 0.125794 0.041 Uiso 1 1 calc R U . . .
C5 C 0.0360(3) -0.0476(9) 0.1038(3) 0.0429(12) Uani 1 1 d . . . . .
H5 H 0.007991 -0.034011 0.061403 0.052 Uiso 1 1 calc R U . . .
C12 C 0.2698(2) -0.5893(9) 0.0840(3) 0.0362(11) Uani 1 1 d . . . . .
H12 H 0.263752 -0.401958 0.089753 0.043 Uiso 1 1 calc R U . . .
O2 O 0.1165(3) -0.5380(7) -0.0975(2) 0.0667(12) Uani 1 1 d . . . . .
C9 C 0.1448(3) -0.6493(9) -0.0490(3) 0.0417(12) Uani 1 1 d . . . . .
C3 C 0.0607(3) 0.0921(9) 0.2229(3) 0.0450(13) Uani 1 1 d . . . . .
H3 H 0.050440 0.199088 0.262513 0.054 Uiso 1 1 calc R U . . .
C7 C 0.1036(3) -0.3733(8) 0.0422(3) 0.0412(12) Uani 1 1 d . . . . .
H7 H 0.075951 -0.316902 0.002493 0.049 Uiso 1 1 calc R U . . .
C8 C 0.1466(3) -0.5691(8) 0.0267(3) 0.0369(11) Uani 1 1 d . . . . .
C1 C 0.1292(3) -0.2454(9) 0.1711(3) 0.0391(11) Uani 1 1 d . . . . .
H1A H 0.166117 -0.368703 0.175742 0.047 Uiso 1 1 calc R U . . .
C15 C 0.4172(3) -0.3681(9) -0.1201(3) 0.0463(13) Uani 1 1 d . . . . .
C17 C 0.4716(3) -0.2126(10) -0.0786(3) 0.0549(14) Uani 1 1 d . . . . .
H17A H 0.446797 -0.080106 -0.051531 0.082 Uiso 1 1 calc R U . . .
H17B H 0.505422 -0.134103 -0.112060 0.082 Uiso 1 1 calc R U . . .
H17C H 0.497856 -0.323186 -0.045514 0.082 Uiso 1 1 calc R U . . .
C2 C 0.1150(3) -0.0864(9) 0.2275(3) 0.0425(12) Uani 1 1 d . . . . .
H2 H 0.142688 -0.099008 0.270105 0.051 Uiso 1 1 calc R U . . .
C16 C 0.3651(3) -0.2087(11) -0.1619(3) 0.0623(16) Uani 1 1 d . . . . .
H16A H 0.328166 -0.318010 -0.183060 0.093 Uiso 1 1 calc R U . . .
H16B H 0.390616 -0.118829 -0.200038 0.093 Uiso 1 1 calc R U . . .
H16C H 0.342412 -0.085257 -0.129930 0.093 Uiso 1 1 calc R U . . .
C10 C 0.1819(3) -0.9598(11) -0.1318(3) 0.0619(17) Uani 1 1 d . . . . .
H10A H 0.209397 -0.839047 -0.160583 0.093 Uiso 1 1 calc R U . . .
H10B H 0.133183 -0.974538 -0.151242 0.093 Uiso 1 1 calc R U . . .
H10C H 0.205330 -1.126028 -0.133015 0.093 Uiso 1 1 calc R U . . .
C18 C 0.4539(4) -0.5556(11) -0.1690(3) 0.0650(18) Uani 1 1 d . . . . .
H18A H 0.485721 -0.664754 -0.140722 0.098 Uiso 1 1 calc R U . . .
H18B H 0.482026 -0.463740 -0.204791 0.098 Uiso 1 1 calc R U . . .
H18C H 0.417652 -0.660029 -0.193047 0.098 Uiso 1 1 calc R U . . .
C13 C 0.3093(3) -0.6890(11) 0.1485(3) 0.0538(14) Uani 1 1 d . . . . .


_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
F2 C13 1.335(6) . ?
O4 C14 1.350(6) . ?
O4 C15 1.469(6) . ?
N1 H1 0.8800 . ?
N1 C14 1.352(6) . ?
N1 C12 1.436(6) . ?
O1 C9 1.343(6) . ?
O1 C10 1.435(6) . ?
F3 C13 1.339(6) . ?
F1 C13 1.342(6) . ?
C6 C5 1.401(6) . ?
C6 C7 1.448(6) . ?
C6 C1 1.400(7) . ?
O3 C14 1.193(5) . ?
C4 H4 0.9500 . ?
C4 C5 1.384(7) . ?
C4 C3 1.378(7) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.542(6) . ?
C11 C8 1.506(6) . ?
C5 H5 0.9500 . ?
C12 H12 1.0000 . ?
C12 C13 1.506(7) . ?
O2 C9 1.201(6) . ?
C9 C8 1.476(7) . ?
C3 H3 0.9500 . ?
C3 C2 1.385(7) . ?
C7 H7 0.9500 . ?
C7 C8 1.339(6) . ?
C1 H1A 0.9500 . ?
C1 C2 1.373(7) . ?
C15 C17 1.515(7) . ?
C15 C16 1.503(8) . ?
C15 C18 1.510(7) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C2 H2 0.9500 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?

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 O4 C15 120.3(4) . . ?
C14 N1 H1 119.6 . . ?
C14 N1 C12 120.8(4) . . ?
C12 N1 H1 119.6 . . ?
C9 O1 C10 116.0(4) . . ?
C5 C6 C7 116.5(4) . . ?
C1 C6 C5 116.6(4) . . ?
C1 C6 C7 126.8(4) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C3 C4 C5 119.8(5) . . ?
O4 C14 N1 107.9(4) . . ?
O3 C14 O4 126.1(5) . . ?
O3 C14 N1 126.0(5) . . ?
H11A C11 H11B 107.8 . . ?
C12 C11 H11A 109.1 . . ?
C12 C11 H11B 109.1 . . ?
C8 C11 H11A 109.1 . . ?
C8 C11 H11B 109.1 . . ?
C8 C11 C12 112.5(4) . . ?
C6 C5 H5 119.0 . . ?
C4 C5 C6 122.0(5) . . ?
C4 C5 H5 119.0 . . ?
N1 C12 C11 111.7(4) . . ?
N1 C12 H12 108.3 . . ?
N1 C12 C13 109.3(4) . . ?
C11 C12 H12 108.3 . . ?
C13 C12 C11 110.9(4) . . ?
C13 C12 H12 108.3 . . ?
O1 C9 C8 112.1(4) . . ?
O2 C9 O1 121.6(5) . . ?
O2 C9 C8 126.3(4) . . ?
C4 C3 H3 120.3 . . ?
C4 C3 C2 119.4(5) . . ?
C2 C3 H3 120.3 . . ?
C6 C7 H7 113.4 . . ?
C8 C7 C6 133.3(5) . . ?
C8 C7 H7 113.4 . . ?
C9 C8 C11 118.7(4) . . ?
C7 C8 C11 126.7(4) . . ?
C7 C8 C9 114.6(4) . . ?
C6 C1 H1A 119.3 . . ?
C2 C1 C6 121.5(5) . . ?
C2 C1 H1A 119.3 . . ?
O4 C15 C17 109.3(4) . . ?
O4 C15 C16 110.7(5) . . ?
O4 C15 C18 101.8(4) . . ?
C16 C15 C17 113.2(4) . . ?
C16 C15 C18 110.2(5) . . ?
C18 C15 C17 111.1(5) . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C3 C2 H2 119.7 . . ?
C1 C2 C3 120.7(5) . . ?
C1 C2 H2 119.7 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O1 C10 H10A 109.5 . . ?
O1 C10 H10B 109.5 . . ?
O1 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
F2 C13 F3 107.0(5) . . ?
F2 C13 F1 105.8(5) . . ?
F2 C13 C12 113.0(4) . . ?
F3 C13 F1 105.9(4) . . ?
F3 C13 C12 112.5(5) . . ?
F1 C13 C12 112.1(4) . . ?

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
N1 C12 C13 F2 -63.4(6) . . . . ?
N1 C12 C13 F3 57.9(5) . . . . ?
N1 C12 C13 F1 177.1(4) . . . . ?
O1 C9 C8 C11 10.9(6) . . . . ?
O1 C9 C8 C7 -168.9(4) . . . . ?
C6 C7 C8 C11 2.9(9) . . . . ?
C6 C7 C8 C9 -177.3(5) . . . . ?
C6 C1 C2 C3 1.2(7) . . . . ?
C4 C3 C2 C1 -1.3(7) . . . . ?
C14 O4 C15 C17 62.1(6) . . . . ?
C14 O4 C15 C16 -63.3(6) . . . . ?
C14 O4 C15 C18 179.6(5) . . . . ?
C14 N1 C12 C11 122.4(5) . . . . ?
C14 N1 C12 C13 -114.4(5) . . . . ?
C11 C12 C13 F2 60.2(6) . . . . ?
C11 C12 C13 F3 -178.5(4) . . . . ?
C11 C12 C13 F1 -59.3(5) . . . . ?
C5 C6 C7 C8 -174.7(5) . . . . ?
C5 C6 C1 C2 -1.2(7) . . . . ?
C5 C4 C3 C2 1.5(8) . . . . ?
C12 N1 C14 O4 176.9(4) . . . . ?
C12 N1 C14 O3 -1.1(8) . . . . ?
C12 C11 C8 C9 91.7(5) . . . . ?
C12 C11 C8 C7 -88.5(6) . . . . ?
O2 C9 C8 C11 -170.2(5) . . . . ?
O2 C9 C8 C7 10.0(8) . . . . ?
C3 C4 C5 C6 -1.5(8) . . . . ?
C7 C6 C5 C4 -175.6(5) . . . . ?
C7 C6 C1 C2 175.4(5) . . . . ?
C8 C11 C12 N1 -72.8(5) . . . . ?
C8 C11 C12 C13 165.0(4) . . . . ?
C1 C6 C5 C4 1.3(7) . . . . ?
C1 C6 C7 C8 8.7(9) . . . . ?
C15 O4 C14 N1 -178.4(4) . . . . ?
C15 O4 C14 O3 -0.4(8) . . . . ?
C10 O1 C9 O2 3.4(7) . . . . ?
C10 O1 C9 C8 -177.6(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_site                            XU
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.591(2)
2 0.409(2)

