#------------------------------------------------------------------------------
#$Date: 2023-05-05 06:10:55 +0300 (Fri, 05 May 2023) $
#$Revision: 283437 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/92/7159276.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7159276
loop_
_publ_author_name
'Shakenov, Aldiyar'
'Gnyawali, Krishna Prasad'
'Yi, Chae S.'
_publ_section_title
;
 Concise synthesis of 2,3-disubstituted quinoline derivatives via
 ruthenium-catalyzed three-component deaminative coupling reaction of
 anilines, aldehydes and amines.
;
_journal_issue                   17
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              3582
_journal_page_last               3587
_journal_paper_doi               10.1039/d3ob00348e
_journal_volume                  21
_journal_year                    2023
_chemical_formula_moiety         'C17 H14 F N O2'
_chemical_formula_sum            'C17 H14 F N O2'
_chemical_formula_weight         283.29
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2020-09-02
_audit_creation_method
;
Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_audit_update_record
;
2022-09-13 deposited with the CCDC.	2023-04-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.4637(17)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   26.2945(5)
_cell_length_b                   3.86139(6)
_cell_length_c                   25.3106(4)
_cell_measurement_reflns_used    5693
_cell_measurement_temperature    99.95(10)
_cell_measurement_theta_max      70.2600
_cell_measurement_theta_min      4.6230
_cell_volume                     2562.07(8)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/1 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.95(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3756
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -67.00  32.00   1.00    5.00    --  -42.46  37.00  60.00   99
  2  ω   -131.00  46.00   1.00    5.00    --  -42.46   0.00-180.00  177
  3  ω     71.00 172.00   1.00   20.00    --  100.00  61.00 -30.00  101
  4  ω     27.00 126.00   1.00   20.00    --  100.00 -45.00-180.00   99
  5  ω     72.00 176.00   1.00   20.00    --  100.00  30.00  60.00  104
  6  ω     94.00 173.00   1.00   20.00    --  100.00 125.00  90.00   79
  7  ω     94.00 173.00   1.00   20.00    --  100.00 125.00-150.00   79
  8  ω     27.00 118.00   1.00   20.00    --  100.00-125.00 150.00   91
  9  ω   -119.00 -10.00   1.00    5.00    --  -42.46 -77.00  90.00  109
 10  ω     10.00 119.00   1.00    5.00    --   42.46  77.00 -30.00  109
 11  ω     71.00 172.00   1.00   20.00    --  100.00  61.00 150.00  101
 12  ω     67.00 176.00   1.00   20.00    --  100.00  77.00-180.00  109
 13  ω     17.00 110.00   1.00   20.00    --  100.00 -94.00-180.00   93
 14  ω     71.00 172.00   1.00   20.00    --  100.00  61.00 -90.00  101
 15  ω   -115.00 -14.00   1.00    5.00    --  -42.46 -57.00-180.00  101
 16  ω     23.00  98.00   1.00    5.00    --   42.46-125.00-150.00   75
 17  ω     71.00 118.00   1.00   20.00    --  100.00  61.00  90.00   47
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0181606000
_diffrn_orient_matrix_UB_12      0.1332812000
_diffrn_orient_matrix_UB_13      0.0527450000
_diffrn_orient_matrix_UB_21      0.0475181000
_diffrn_orient_matrix_UB_22      0.2334195000
_diffrn_orient_matrix_UB_23      0.0075634000
_diffrn_orient_matrix_UB_31      -0.0293994000
_diffrn_orient_matrix_UB_32      0.2948258000
_diffrn_orient_matrix_UB_33      -0.0298248000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0235
_diffrn_reflns_av_unetI/netI     0.0149
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            12360
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        70.411
_diffrn_reflns_theta_max         70.411
_diffrn_reflns_theta_min         3.503
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    0.879
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.592
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_description       plate
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.199
_exptl_crystal_size_min          0.026
_refine_diff_density_max         0.204
_refine_diff_density_min         -0.242
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     192
_refine_ls_number_reflns         2437
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0330
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0509P)²+1.9539P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0870
_refine_ls_wR_factor_ref         0.0912
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2207
_reflns_number_total             2437
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3ob00348e2.cif
_cod_data_source_block           yi5f
_cod_depositor_comments
'Adding full bibliography for 7159276--7159277.cif.'
_cod_original_cell_volume        2562.08(8)
_cod_database_code               7159276
_shelx_shelxl_version_number     2018/1
_chemical_oxdiff_formula         'C17 H14 F N O2'
_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.
;
_reflns_odcompleteness_completeness 99.93
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C7(H7), C9(H9), C12(H12), C13(H13), C15(H15), C16(H16)
2.b Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C)
;
_olex2_date_sample_data_collection 2020-09-01
_olex2_date_sample_submission    2020-08-31
_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 1.447
_oxdiff_exptl_absorpt_empirical_full_min 0.822
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
F1 F 0.50682(3) -0.1773(2) 0.33562(3) 0.02419(19) Uani 1 1 d . . . . .
O1 O 0.76457(3) 0.8562(2) 0.63176(3) 0.0193(2) Uani 1 1 d . . . . .
O2 O 0.62258(3) 0.7473(2) 0.73600(3) 0.0191(2) Uani 1 1 d . . . . .
N1 N 0.60961(4) 0.3567(2) 0.55475(4) 0.0156(2) Uani 1 1 d . . . . .
C2 C 0.63121(4) 0.3188(3) 0.50943(4) 0.0157(2) Uani 1 1 d . . . . .
C3 C 0.68252(4) 0.4152(3) 0.50349(4) 0.0170(2) Uani 1 1 d . . . . .
H3 H 0.696933 0.382172 0.470586 0.020 Uiso 1 1 calc R U . . .
C4 C 0.71096(4) 0.5560(3) 0.54553(5) 0.0174(2) Uani 1 1 d . . . . .
H4 H 0.745419 0.620561 0.542155 0.021 Uiso 1 1 calc R U . . .
C5 C 0.68899(4) 0.6048(3) 0.59380(4) 0.0158(2) Uani 1 1 d . . . . .
C6 C 0.71550(4) 0.7598(3) 0.63911(5) 0.0163(2) Uani 1 1 d . . . . .
C7 C 0.69217(4) 0.8022(3) 0.68501(4) 0.0171(2) Uani 1 1 d . . . . .
H7 H 0.710034 0.906327 0.714982 0.020 Uiso 1 1 calc R U . . .
C8 C 0.64089(4) 0.6892(3) 0.68764(4) 0.0162(2) Uani 1 1 d . . . . .
C9 C 0.61382(4) 0.5404(3) 0.64511(4) 0.0167(2) Uani 1 1 d . . . . .
H9 H 0.579646 0.466423 0.647704 0.020 Uiso 1 1 calc R U . . .
C10 C 0.63770(4) 0.4986(3) 0.59703(4) 0.0159(2) Uani 1 1 d . . . . .
C11 C 0.59889(4) 0.1792(3) 0.46353(4) 0.0155(2) Uani 1 1 d . . . . .
C12 C 0.54573(4) 0.1955(3) 0.46351(4) 0.0174(2) Uani 1 1 d . . . . .
H12 H 0.530901 0.290245 0.493358 0.021 Uiso 1 1 calc R U . . .
C13 C 0.51421(4) 0.0763(3) 0.42087(5) 0.0191(3) Uani 1 1 d . . . . .
H13 H 0.478133 0.087624 0.421102 0.023 Uiso 1 1 calc R U . . .
C14 C 0.53691(5) -0.0588(3) 0.37819(4) 0.0180(3) Uani 1 1 d . . . . .
C15 C 0.58916(4) -0.0823(3) 0.37623(4) 0.0184(3) Uani 1 1 d . . . . .
H15 H 0.603551 -0.177330 0.346149 0.022 Uiso 1 1 calc R U . . .
C16 C 0.62003(4) 0.0366(3) 0.41938(4) 0.0173(2) Uani 1 1 d . . . . .
H16 H 0.656055 0.021014 0.418947 0.021 Uiso 1 1 calc R U . . .
C17 C 0.79298(4) 1.0164(3) 0.67561(5) 0.0201(3) Uani 1 1 d . . . . .
H17A H 0.826222 1.091275 0.664741 0.030 Uiso 1 1 calc R U . . .
H17B H 0.798034 0.850058 0.704784 0.030 Uiso 1 1 calc R U . . .
H17C H 0.774174 1.217757 0.687354 0.030 Uiso 1 1 calc R U . . .
C18 C 0.57262(4) 0.6161(3) 0.74310(5) 0.0199(3) Uani 1 1 d . . . . .
H18A H 0.547753 0.728287 0.717795 0.030 Uiso 1 1 calc R U . . .
H18B H 0.563890 0.664811 0.779304 0.030 Uiso 1 1 calc R U . . .
H18C H 0.572032 0.365363 0.737072 0.030 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
13 0 -12 0.0112
-13 0 12 0.0152
3 2 -2 0.2056
-3 -2 2 0.2056
14 0 8 0.0928
-14 0 -8 0.0928
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
C6 O1 C17 116.95(9) . . ?
C8 O2 C18 116.38(9) . . ?
C2 N1 C10 118.65(10) . . ?
N1 C2 C3 122.49(10) . . ?
N1 C2 C11 117.29(10) . . ?
C3 C2 C11 120.19(10) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 C2 119.31(10) . . ?
C4 C3 H3 120.3 . . ?
C3 C4 H4 120.2 . . ?
C3 C4 C5 119.62(10) . . ?
C5 C4 H4 120.2 . . ?
C4 C5 C6 123.19(10) . . ?
C4 C5 C10 117.96(10) . . ?
C10 C5 C6 118.84(10) . . ?
O1 C6 C5 114.30(10) . . ?
C7 C6 O1 124.99(10) . . ?
C7 C6 C5 120.71(10) . . ?
C6 C7 H7 120.2 . . ?
C6 C7 C8 119.53(10) . . ?
C8 C7 H7 120.2 . . ?
O2 C8 C7 113.08(10) . . ?
O2 C8 C9 125.05(10) . . ?
C9 C8 C7 121.87(10) . . ?
C8 C9 H9 120.5 . . ?
C8 C9 C10 118.90(10) . . ?
C10 C9 H9 120.5 . . ?
N1 C10 C5 121.96(10) . . ?
N1 C10 C9 117.91(10) . . ?
C5 C10 C9 120.13(10) . . ?
C12 C11 C2 119.63(10) . . ?
C16 C11 C2 121.90(10) . . ?
C16 C11 C12 118.46(10) . . ?
C11 C12 H12 119.3 . . ?
C13 C12 C11 121.45(11) . . ?
C13 C12 H12 119.3 . . ?
C12 C13 H13 121.1 . . ?
C14 C13 C12 117.82(11) . . ?
C14 C13 H13 121.1 . . ?
F1 C14 C13 119.09(10) . . ?
F1 C14 C15 117.81(10) . . ?
C13 C14 C15 123.10(11) . . ?
C14 C15 H15 120.9 . . ?
C14 C15 C16 118.21(10) . . ?
C16 C15 H15 120.9 . . ?
C11 C16 H16 119.5 . . ?
C15 C16 C11 120.95(10) . . ?
C15 C16 H16 119.5 . . ?
O1 C17 H17A 109.5 . . ?
O1 C17 H17B 109.5 . . ?
O1 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O2 C18 H18A 109.5 . . ?
O2 C18 H18B 109.5 . . ?
O2 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
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
F1 C14 1.3650(13) . ?
O1 C6 1.3696(14) . ?
O1 C17 1.4296(14) . ?
O2 C8 1.3682(14) . ?
O2 C18 1.4324(14) . ?
N1 C2 1.3271(15) . ?
N1 C10 1.3666(15) . ?
C2 C3 1.4189(16) . ?
C2 C11 1.4863(16) . ?
C3 H3 0.9500 . ?
C3 C4 1.3650(16) . ?
C4 H4 0.9500 . ?
C4 C5 1.4041(16) . ?
C5 C6 1.4264(16) . ?
C5 C10 1.4181(16) . ?
C6 C7 1.3651(16) . ?
C7 H7 0.9500 . ?
C7 C8 1.4239(16) . ?
C8 C9 1.3697(16) . ?
C9 H9 0.9500 . ?
C9 C10 1.4214(16) . ?
C11 C12 1.3991(16) . ?
C11 C16 1.3991(16) . ?
C12 H12 0.9500 . ?
C12 C13 1.3873(16) . ?
C13 H13 0.9500 . ?
C13 C14 1.3769(17) . ?
C14 C15 1.3815(17) . ?
C15 H15 0.9500 . ?
C15 C16 1.3874(16) . ?
C16 H16 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
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
F1 C14 C15 C16 -179.82(10) . . . . ?
O1 C6 C7 C8 -179.73(10) . . . . ?
O2 C8 C9 C10 179.51(10) . . . . ?
N1 C2 C3 C4 -0.71(17) . . . . ?
N1 C2 C11 C12 19.94(16) . . . . ?
N1 C2 C11 C16 -161.35(11) . . . . ?
C2 N1 C10 C5 -0.14(16) . . . . ?
C2 N1 C10 C9 179.40(10) . . . . ?
C2 C3 C4 C5 -0.34(17) . . . . ?
C2 C11 C12 C13 178.32(11) . . . . ?
C2 C11 C16 C15 -177.96(11) . . . . ?
C3 C2 C11 C12 -158.23(11) . . . . ?
C3 C2 C11 C16 20.49(17) . . . . ?
C3 C4 C5 C6 -177.99(11) . . . . ?
C3 C4 C5 C10 1.07(17) . . . . ?
C4 C5 C6 O1 -0.33(16) . . . . ?
C4 C5 C6 C7 179.72(11) . . . . ?
C4 C5 C10 N1 -0.86(17) . . . . ?
C4 C5 C10 C9 179.61(10) . . . . ?
C5 C6 C7 C8 0.22(17) . . . . ?
C6 C5 C10 N1 178.24(10) . . . . ?
C6 C5 C10 C9 -1.28(16) . . . . ?
C6 C7 C8 O2 179.83(10) . . . . ?
C6 C7 C8 C9 -0.51(18) . . . . ?
C7 C8 C9 C10 -0.10(17) . . . . ?
C8 C9 C10 N1 -178.54(10) . . . . ?
C8 C9 C10 C5 1.00(17) . . . . ?
C10 N1 C2 C3 0.93(17) . . . . ?
C10 N1 C2 C11 -177.19(10) . . . . ?
C10 C5 C6 O1 -179.38(10) . . . . ?
C10 C5 C6 C7 0.67(17) . . . . ?
C11 C2 C3 C4 177.36(10) . . . . ?
C11 C12 C13 C14 -0.13(18) . . . . ?
C12 C11 C16 C15 0.78(17) . . . . ?
C12 C13 C14 F1 -179.86(10) . . . . ?
C12 C13 C14 C15 0.40(18) . . . . ?
C13 C14 C15 C16 -0.08(18) . . . . ?
C14 C15 C16 C11 -0.52(17) . . . . ?
C16 C11 C12 C13 -0.44(17) . . . . ?
C17 O1 C6 C5 179.38(10) . . . . ?
C17 O1 C6 C7 -0.68(16) . . . . ?
C18 O2 C8 C7 -175.25(10) . . . . ?
C18 O2 C8 C9 5.11(16) . . . . ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
12.9954 0.0004 -11.9998 -0.8689 0.5268 -0.0241
-12.9954 -0.0004 11.9998 0.8689 -0.5268 0.0241
2.9946 2.0004 -2.0042 0.1065 0.5941 0.5615
-2.9946 -2.0004 2.0042 -0.1065 -0.5941 -0.5615
14.0063 0.0010 7.9940 0.1674 0.7262 -0.6499
-14.0063 -0.0010 -7.9940 -0.1674 -0.7262 0.6499
