# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_exp_1356
_database_code_depnum_ccdc_archive 'CCDC 1919365'
loop_
_audit_author_name
_audit_author_address
'Ikyon Kim'
;Yonsei University
South Korea
;
_audit_update_record             
;
2019-05-29 deposited with the CCDC.	2020-04-07 downloaded from the CCDC.
;
_audit_creation_date             2019-04-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H17 N2 O3'
_chemical_formula_sum            'C22 H17 N2 O3'
_chemical_formula_weight         357.37
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C17 H17 N O4'
_chemical_oxdiff_usercomment     JUN3-VII-127
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'
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                   9.8538(17)
_cell_length_b                   10.2156(17)
_cell_length_c                   18.572(3)
_cell_angle_alpha                90
_cell_angle_beta                 102.789(17)
_cell_angle_gamma                90
_cell_volume                     1823.1(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2961
_cell_measurement_temperature    293.31(10)
_cell_measurement_theta_max      22.3230
_cell_measurement_theta_min      2.8950
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.088
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58682
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.29d (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic light yellow'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.302
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             748
_exptl_crystal_size_max          0.451
_exptl_crystal_size_mid          0.389
_exptl_crystal_size_min          0.165
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0643
_diffrn_reflns_av_unetI/netI     0.0724
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.891
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            19579
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.891
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.659
_diffrn_reflns_theta_min         2.119
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      293.31(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2262
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.891
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      3.00  57.00   1.00    8.75    --   11.51-123.00 164.00   54
  2  ω     14.00  75.00   1.00    8.75    --   11.51-149.00   1.00   61
  3  ω    -20.00  17.00   1.00    8.75    --  -11.04 -99.00 -30.00   37
  4  ω     -8.00  28.00   1.00    8.75    --  -11.04 -99.00-120.00   36
  5  ω     36.00  62.00   1.00    8.75    --   11.51 178.00  90.00   26
  6  ω     42.00  80.00   1.00    8.75    --   11.51-178.00 120.00   38
  7  ω     -1.00  37.00   1.00    8.75    --   11.51  38.00 120.00   38
  8  ω     45.00  71.00   1.00    8.75    --   11.51  38.00 120.00   26
  9  ω     -6.00  85.00   1.00    8.75    --   11.51  38.00 -90.00   91
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0089713000
_diffrn_orient_matrix_UB_12      -0.0182449000
_diffrn_orient_matrix_UB_13      -0.0355060000
_diffrn_orient_matrix_UB_21      -0.0669963000
_diffrn_orient_matrix_UB_22      0.0250804000
_diffrn_orient_matrix_UB_23      -0.0160702000
_diffrn_orient_matrix_UB_31      0.0296925000
_diffrn_orient_matrix_UB_32      0.0620863000
_diffrn_orient_matrix_UB_33      -0.0039650000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2454
_reflns_number_total             4594
_reflns_odcompleteness_completeness 99.95
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.29d (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.29d (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.29d (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.179
_refine_diff_density_min         -0.437
_refine_diff_density_rms         0.042
_refine_ls_extinction_coef       0.0066(14)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         4594
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1476
_refine_ls_R_factor_gt           0.0713
_refine_ls_restrained_S_all      1.048
_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)+(0.0559P)²+0.4687P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1420
_refine_ls_wR_factor_ref         0.1763
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Sof(C0AA)=Sof(H0AA)=Sof(H0AB)=Sof(H0AC)=1-FVAR(1)
 Sof(C1)=Sof(H1A)=Sof(H1B)=Sof(H1C)=FVAR(1)
3.a Aromatic/amide H refined with riding coordinates:
 N004(H004), C00B(H00B), C00D(H00D), C00F(H00F), C00G(H00G), C00H(H00H),
 C00I(H00I), C00J(H00J), C00L(H00L), C00M(H00M), C00N(H00N), C00O(H00O),
 C00P(H00P), C00Q(H00Q)
3.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C0AA(H0AA,H0AB,H0AC)
;
_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
O002 O 0.68189(18) 0.46252(18) 0.26378(10) 0.0651(5) Uani 1 1 d . . . . .
N003 N 0.6717(2) 0.62790(19) 0.46379(11) 0.0474(5) Uani 1 1 d . . . . .
N004 N 0.4327(2) 0.5981(2) 0.35420(12) 0.0529(6) Uani 1 1 d . . . . .
H004 H 0.358886 0.587999 0.319931 0.063 Uiso 1 1 calc R . . . .
C005 C 0.8921(2) 0.6580(2) 0.34348(12) 0.0422(6) Uani 1 1 d . . . . .
C006 C 0.6817(2) 0.5865(2) 0.39462(13) 0.0427(6) Uani 1 1 d . . . . .
C007 C 0.8289(2) 0.5614(2) 0.38548(13) 0.0461(6) Uani 1 1 d . . . . .
C008 C 0.4663(2) 0.5465(2) 0.19994(13) 0.0457(6) Uani 1 1 d . . . . .
C009 C 0.5632(2) 0.5724(2) 0.34136(13) 0.0436(6) Uani 1 1 d . . . . .
O00A O 0.1695(4) 0.6056(3) 0.00643(14) 0.1050(9) Uani 1 1 d . . . . .
C00B C 0.8220(2) 0.7693(2) 0.31258(13) 0.0478(6) Uani 1 1 d . . . . .
H00B H 0.731427 0.784338 0.317528 0.057 Uiso 1 1 calc R . . . .
C00C C 0.5756(3) 0.5237(2) 0.26739(14) 0.0470(6) Uani 1 1 d . . . . .
C00D C 0.3699(3) 0.6485(2) 0.19254(14) 0.0510(6) Uani 1 1 d . . . . .
H00D H 0.371957 0.705196 0.231960 0.061 Uiso 1 1 calc R . . . .
C00E C 0.5400(3) 0.6570(2) 0.47810(14) 0.0511(6) Uani 1 1 d . . . . .
C00F C 1.0284(3) 0.6382(3) 0.33606(14) 0.0544(7) Uani 1 1 d . . . . .
H00F H 1.077478 0.564907 0.357209 0.065 Uiso 1 1 calc R . . . .
C00G C 0.4628(3) 0.4666(2) 0.13877(14) 0.0568(7) Uani 1 1 d . . . . .
H00G H 0.528049 0.399942 0.141765 0.068 Uiso 1 1 calc R . . . .
C00H C 0.4251(3) 0.6380(3) 0.41981(15) 0.0565(7) Uani 1 1 d . . . . .
H00H H 0.337271 0.654926 0.428397 0.068 Uiso 1 1 calc R . . . .
C00I C 0.8853(3) 0.8579(3) 0.27462(15) 0.0598(7) Uani 1 1 d . . . . .
H00I H 0.837753 0.932556 0.254362 0.072 Uiso 1 1 calc R . . . .
C00J C 0.2718(3) 0.6667(3) 0.12789(15) 0.0609(7) Uani 1 1 d . . . . .
H00J H 0.208133 0.734924 0.123989 0.073 Uiso 1 1 calc R . . . .
C00K C 0.2681(3) 0.5833(3) 0.06868(15) 0.0615(7) Uani 1 1 d . . . . .
C00L C 0.7712(3) 0.6532(3) 0.52607(14) 0.0607(7) Uani 1 1 d . . . . .
H00L H 0.866686 0.642283 0.531553 0.073 Uiso 1 1 calc R . . . .
C00M C 0.3649(3) 0.4840(3) 0.07397(15) 0.0640(8) Uani 1 1 d . . . . .
H00M H 0.363884 0.428987 0.033944 0.077 Uiso 1 1 calc R . . . .
C00N C 1.0903(3) 0.7259(3) 0.29789(16) 0.0685(8) Uani 1 1 d . . . . .
H00N H 1.180949 0.711445 0.292953 0.082 Uiso 1 1 calc R . . . .
C00O C 0.5627(3) 0.7005(3) 0.54982(15) 0.0681(8) Uani 1 1 d . . . . .
H00O H 0.494936 0.727170 0.574479 0.082 Uiso 1 1 calc R . . . .
C00P C 0.7057(4) 0.6974(3) 0.57882(16) 0.0726(9) Uani 1 1 d . . . . .
H00P H 0.749489 0.721562 0.626581 0.087 Uiso 1 1 calc R . . . .
C00Q C 1.0196(3) 0.8354(3) 0.26671(16) 0.0710(9) Uani 1 1 d . . . . .
H00Q H 1.062013 0.894184 0.240389 0.085 Uiso 1 1 calc R . . . .
C1 C 0.1439(6) 0.5284(6) -0.0538(3) 0.114(2) Uani 0.723(8) 1 d . . P A 1
H1A H 0.224302 0.526342 -0.074997 0.171 Uiso 0.723(8) 1 calc GR . P A 1
H1B H 0.065969 0.562507 -0.089351 0.171 Uiso 0.723(8) 1 calc GR . P A 1
H1C H 0.123010 0.441375 -0.040053 0.171 Uiso 0.723(8) 1 calc GR . P A 1
C0AA C 0.0717(16) 0.6600(15) -0.0036(8) 0.094(5) Uani 0.277(8) 1 d . . P A 2
H0AA H 0.022623 0.639652 0.034204 0.141 Uiso 0.277(8) 1 calc GR . P A 2
H0AB H 0.015743 0.636040 -0.050917 0.141 Uiso 0.277(8) 1 calc GR . P A 2
H0AC H 0.090912 0.752209 -0.002982 0.141 Uiso 0.277(8) 1 calc GR . P A 2
O1 O 0.89307(18) 0.46929(18) 0.41797(11) 0.0660(6) 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
O002 C00C 1.234(3) . ?
N003 C006 1.376(3) . ?
N003 C00E 1.413(3) . ?
N003 C00L 1.365(3) . ?
N004 H004 0.8600 . ?
N004 C009 1.384(3) . ?
N004 C00H 1.303(3) . ?
C005 C007 1.478(3) . ?
C005 C00B 1.387(3) . ?
C005 C00F 1.395(3) . ?
C006 C007 1.520(3) . ?
C006 C009 1.361(3) . ?
C007 O1 1.217(3) . ?
C008 C00C 1.479(3) . ?
C008 C00D 1.396(3) . ?
C008 C00G 1.393(3) . ?
C009 C00C 1.492(3) . ?
O00A C00K 1.355(4) . ?
O00A C1 1.346(5) . ?
O00A C0AA 1.092(15) . ?
C00B H00B 0.9300 . ?
C00B C00I 1.378(3) . ?
C00D H00D 0.9300 . ?
C00D C00J 1.377(3) . ?
C00E C00H 1.396(4) . ?
C00E C00O 1.375(4) . ?
C00F H00F 0.9300 . ?
C00F C00N 1.367(4) . ?
C00G H00G 0.9300 . ?
C00G C00M 1.377(4) . ?
C00H H00H 0.9300 . ?
C00I H00I 0.9300 . ?
C00I C00Q 1.382(4) . ?
C00J H00J 0.9300 . ?
C00J C00K 1.385(4) . ?
C00K C00M 1.381(4) . ?
C00L H00L 0.9300 . ?
C00L C00P 1.364(4) . ?
C00M H00M 0.9300 . ?
C00N H00N 0.9300 . ?
C00N C00Q 1.376(4) . ?
C00O H00O 0.9300 . ?
C00O C00P 1.393(4) . ?
C00P H00P 0.9300 . ?
C00Q H00Q 0.9300 . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C0AA H0AA 0.9600 . ?
C0AA H0AB 0.9600 . ?
C0AA H0AC 0.9600 . ?

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
C006 N003 C00E 119.9(2) . . ?
C00L N003 C006 131.5(2) . . ?
C00L N003 C00E 108.6(2) . . ?
C009 N004 H004 121.0 . . ?
C00H N004 H004 121.0 . . ?
C00H N004 C009 118.0(2) . . ?
C00B C005 C007 122.4(2) . . ?
C00B C005 C00F 118.7(2) . . ?
C00F C005 C007 118.9(2) . . ?
N003 C006 C007 115.0(2) . . ?
C009 C006 N003 119.0(2) . . ?
C009 C006 C007 126.0(2) . . ?
C005 C007 C006 118.1(2) . . ?
O1 C007 C005 123.0(2) . . ?
O1 C007 C006 118.6(2) . . ?
C00D C008 C00C 123.6(2) . . ?
C00G C008 C00C 118.7(2) . . ?
C00G C008 C00D 117.6(2) . . ?
N004 C009 C00C 119.4(2) . . ?
C006 C009 N004 122.4(2) . . ?
C006 C009 C00C 118.2(2) . . ?
C1 O00A C00K 125.3(4) . . ?
C0AA O00A C00K 132.1(8) . . ?
C005 C00B H00B 119.7 . . ?
C00I C00B C005 120.6(2) . . ?
C00I C00B H00B 119.7 . . ?
O002 C00C C008 120.1(2) . . ?
O002 C00C C009 117.6(2) . . ?
C008 C00C C009 122.3(2) . . ?
C008 C00D H00D 119.4 . . ?
C00J C00D C008 121.2(2) . . ?
C00J C00D H00D 119.4 . . ?
C00H C00E N003 116.5(2) . . ?
C00O C00E N003 106.9(2) . . ?
C00O C00E C00H 136.6(3) . . ?
C005 C00F H00F 119.8 . . ?
C00N C00F C005 120.4(2) . . ?
C00N C00F H00F 119.8 . . ?
C008 C00G H00G 119.2 . . ?
C00M C00G C008 121.6(3) . . ?
C00M C00G H00G 119.2 . . ?
N004 C00H C00E 124.3(2) . . ?
N004 C00H H00H 117.8 . . ?
C00E C00H H00H 117.8 . . ?
C00B C00I H00I 120.1 . . ?
C00B C00I C00Q 119.8(3) . . ?
C00Q C00I H00I 120.1 . . ?
C00D C00J H00J 120.0 . . ?
C00D C00J C00K 120.0(3) . . ?
C00K C00J H00J 120.0 . . ?
O00A C00K C00J 117.5(3) . . ?
O00A C00K C00M 122.5(3) . . ?
C00M C00K C00J 119.9(3) . . ?
N003 C00L H00L 126.1 . . ?
C00P C00L N003 107.8(3) . . ?
C00P C00L H00L 126.1 . . ?
C00G C00M C00K 119.7(3) . . ?
C00G C00M H00M 120.1 . . ?
C00K C00M H00M 120.1 . . ?
C00F C00N H00N 119.7 . . ?
C00F C00N C00Q 120.6(3) . . ?
C00Q C00N H00N 119.7 . . ?
C00E C00O H00O 126.3 . . ?
C00E C00O C00P 107.5(3) . . ?
C00P C00O H00O 126.3 . . ?
C00L C00P C00O 109.2(3) . . ?
C00L C00P H00P 125.4 . . ?
C00O C00P H00P 125.4 . . ?
C00I C00Q H00Q 120.1 . . ?
C00N C00Q C00I 119.8(3) . . ?
C00N C00Q H00Q 120.1 . . ?
O00A C1 H1A 109.5 . . ?
O00A C1 H1B 109.5 . . ?
O00A C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O00A C0AA H0AA 109.5 . . ?
O00A C0AA H0AB 109.5 . . ?
O00A C0AA H0AC 109.5 . . ?
H0AA C0AA H0AB 109.5 . . ?
H0AA C0AA H0AC 109.5 . . ?
H0AB C0AA H0AC 109.5 . . ?

_olex2_date_sample_data_collection 2019-04-09
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.992
_oxdiff_exptl_absorpt_empirical_full_min 0.626
