#------------------------------------------------------------------------------
#$Date: 2016-08-07 12:45:03 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185679 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/32/1543212.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_1543212
loop_
_publ_author_name
'Conboy, Gary'
'Spencer, Howard J.'
'Angioni, Enrico'
'Kanibolotsky, Alexander L.'
'Findlay, Neil J.'
'Coles, Simon J.'
'Wilson, Claire'
'Pitak, Mateusz B.'
'Risko, Chad'
'Coropceanu, Veaceslav'
'Brédas, Jean-Luc'
'Skabara, Peter J.'
_publ_section_title
;
 To bend or not to bend -- are heteroatom interactions within conjugated
 molecules effective in dictating conformation and planarity?
;
_journal_issue                   4
_journal_name_full               'Mater. Horiz.'
_journal_page_first              333
_journal_paper_doi               10.1039/C6MH00051G
_journal_volume                  3
_journal_year                    2016
_chemical_formula_moiety         'C34 H34 N4 O2 S2'
_chemical_formula_sum            'C34 H34 N4 O2 S2'
_chemical_formula_weight         594.77
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2015-12-07
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_audit_update_record
;
2015-12-07 deposited with the CCDC.
2016-04-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.041(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.526(2)
_cell_length_b                   5.1215(7)
_cell_length_c                   20.577(3)
_cell_measurement_reflns_used    8189
_cell_measurement_temperature    100
_cell_measurement_theta_max      25.1
_cell_measurement_theta_min      3.0
_cell_volume                     1447.1(4)
_computing_cell_refinement
;
CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)
;
_computing_data_collection
;
CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)
;
_computing_data_reduction
;
CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)
;
_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
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 28.5714
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
scan:
    Number of images: 133
               Slice: -60.0000 - 73.0000
         Image width: 1.0000
            Exp time: 15.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: 14.0000
                 Phi: -180.0000
                 XTD: 44.9826
              2theta: -17.1738
scan:
    Number of images: 120
               Slice: -98.0000 - 22.0000
         Image width: 1.0000
            Exp time: 15.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: -72.0000
                 Phi: -129.0000
                 XTD: 44.9826
              2theta: -17.1738
scan:
    Number of images: 104
               Slice: -82.0000 - 22.0000
         Image width: 1.0000
            Exp time: 15.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: -72.0000
                 Phi: 25.0000
                 XTD: 44.9826
              2theta: -17.1738
scan:
    Number of images: 34
               Slice: -44.0000 - -10.0000
         Image width: 1.0000
            Exp time: 15.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: 72.0000
                 Phi: -180.0000
                 XTD: 44.9826
              2theta: -17.1738
scan:
    Number of images: 10
               Slice: 0.0000 - 10.0000
         Image width: 1.0000
            Exp time: 15.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: -44.0000
                 Phi: -129.0000
                 XTD: 44.9826
              2theta: -17.1738
scan:
    Number of images: 133
               Slice: -60.0000 - 73.0000
         Image width: 1.0000
            Exp time: 15.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: 14.0000
                 Phi: 77.0000
                 XTD: 44.9826
              2theta: -17.1738
scan:
    Number of images: 21
               Slice: -98.0000 - -77.0000
         Image width: 1.0000
            Exp time: 15.0000
       Rotation axis: Omega
               Omega: 0.0000
               Kappa: -72.0000
                 Phi: 128.0000
                 XTD: 44.9826
              2theta: -17.1738
;
_diffrn_measurement_device       'four-circle κ goniometer'
_diffrn_measurement_device_type  'Rigaku AFC12 (Right)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroLoop'
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      0.049974
_diffrn_orient_matrix_UB_12      -0.001924
_diffrn_orient_matrix_UB_13      0.011045
_diffrn_orient_matrix_UB_21      -0.019666
_diffrn_orient_matrix_UB_22      -0.184591
_diffrn_orient_matrix_UB_23      0.056834
_diffrn_orient_matrix_UB_31      0.036297
_diffrn_orient_matrix_UB_32      -0.021975
_diffrn_orient_matrix_UB_33      -0.058814
_diffrn_radiation_collimation    'Confocal mirrors, HF Varimax '
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.148
_diffrn_reflns_av_unetI/netI     0.260
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            16020
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.058
_diffrn_reflns_theta_max         25.058
_diffrn_reflns_theta_min         3.023
_diffrn_reflns_transf_matrix_11  0.049974
_diffrn_reflns_transf_matrix_12  -0.001924
_diffrn_reflns_transf_matrix_13  0.011045
_diffrn_reflns_transf_matrix_21  -0.019666
_diffrn_reflns_transf_matrix_22  -0.184591
_diffrn_reflns_transf_matrix_23  0.056834
_diffrn_reflns_transf_matrix_31  0.036297
_diffrn_reflns_transf_matrix_32  -0.021975
_diffrn_reflns_transf_matrix_33  -0.058814
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.475
_diffrn_source_voltage           45.0
_exptl_absorpt_coefficient_mu    0.224
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.617
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.365
_exptl_crystal_description       Block
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.754
_refine_diff_density_min         -0.359
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.137
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     191
_refine_ls_number_reflns         2550
_refine_ls_number_restraints     291
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.3045
_refine_ls_R_factor_gt           0.1450
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3462
_refine_ls_wR_factor_ref         0.4364
_reflns_Friedel_coverage         0.000
_reflns_number_gt                938
_reflns_number_total             2550
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6mh00051g2.cif
_cod_data_source_block           2013ncs0660
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 1543209--1543212.cif.
;
_cod_original_cell_volume        1447.0(4)
_cod_database_code               1543212
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C5-C6 = C7-C6 = C7-C8 = C8-C9 = C9-C10 = C11-C10
 1.51 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms restrained to be isotropic: with sigma of 0.1 and sigma
for terminal atoms of 0.2
4. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5.a Secondary CH2 refined with riding coordinates:
 C6(H6A,H6B), C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C10(H10A,H10B)
5.b Aromatic/amide H refined with riding coordinates:
 C15(H15), C16(H16), C17(H17), C18(H18)
5.c Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
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'
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
S1 S 0.69033(19) -0.2628(7) 0.49848(12) 0.1103(15) Uani 1 1 d . U
O13 O 0.4632(4) 0.4638(17) 0.3492(3) 0.102(2) Uani 1 1 d . U
N2 N 0.6117(5) 0.123(2) 0.4132(3) 0.090(3) Uani 1 1 d . U
N20 N 0.3520(5) 0.559(2) 0.4008(3) 0.103(3) Uani 1 1 d . U
C1 C 0.4644(6) 0.207(2) 0.4494(4) 0.097(3) Uani 1 1 d . U
C2 C 0.5504(7) 0.068(3) 0.4553(4) 0.099(3) Uani 1 1 d . U
C3 C 0.5849(7) -0.130(3) 0.5040(4) 0.098(3) Uani 1 1 d . U
C5 C 0.6836(7) -0.041(3) 0.4341(4) 0.103(3) Uani 1 1 d D U
C6 C 0.7624(7) -0.040(3) 0.4007(6) 0.121(4) Uani 1 1 d D U
H6A H 0.7957 -0.2119 0.4091 0.145 Uiso 1 1 calc R .
H6B H 0.7313 -0.0209 0.3504 0.145 Uiso 1 1 calc R .
C7 C 0.8373(9) 0.170(3) 0.4257(7) 0.129(4) Uani 1 1 d D U
H7A H 0.8739 0.1437 0.4750 0.155 Uiso 1 1 calc R .
H7B H 0.8052 0.3427 0.4201 0.155 Uiso 1 1 calc R .
C8 C 0.9070(10) 0.159(3) 0.3839(8) 0.172(6) Uani 1 1 d D U
H8A H 0.9443 -0.0065 0.3945 0.207 Uiso 1 1 calc R .
H8B H 0.8684 0.1570 0.3343 0.207 Uiso 1 1 calc R .
C9 C 0.9765(11) 0.381(3) 0.3977(8) 0.168(5) Uani 1 1 d D U
H9A H 1.0107 0.4024 0.4476 0.201 Uiso 1 1 calc R .
H9B H 0.9428 0.5464 0.3790 0.201 Uiso 1 1 calc R .
C10 C 1.0468(14) 0.302(5) 0.3603(11) 0.230(9) Uani 1 1 d D U
H10A H 1.1015 0.1955 0.3897 0.276 Uiso 1 1 calc R .
H10B H 1.0136 0.2063 0.3171 0.276 Uiso 1 1 calc R .
C11 C 1.0786(17) 0.562(5) 0.3471(12) 0.253(10) Uani 1 1 d D U
H11A H 1.1207 0.5468 0.3185 0.379 Uiso 1 1 calc GR .
H11B H 1.1149 0.6455 0.3909 0.379 Uiso 1 1 calc GR .
H11C H 1.0216 0.6687 0.3231 0.379 Uiso 1 1 calc GR .
C12 C 0.4263(7) 0.413(3) 0.4018(4) 0.094(3) Uani 1 1 d . U
C14 C 0.4070(7) 0.669(3) 0.3144(4) 0.100(3) Uani 1 1 d . U
C15 C 0.4135(8) 0.794(3) 0.2551(4) 0.109(3) Uani 1 1 d . U
H15 H 0.4607 0.7474 0.2343 0.130 Uiso 1 1 calc R .
C16 C 0.3479(7) 0.982(3) 0.2305(5) 0.107(4) Uani 1 1 d . U
H16 H 0.3486 1.0695 0.1899 0.129 Uiso 1 1 calc R .
C17 C 0.2782(7) 1.059(3) 0.2601(5) 0.112(4) Uani 1 1 d . U
H17 H 0.2346 1.1984 0.2410 0.135 Uiso 1 1 calc R .
C18 C 0.2743(7) 0.927(3) 0.3187(4) 0.108(3) Uani 1 1 d . U
H18 H 0.2276 0.9727 0.3400 0.129 Uiso 1 1 calc R .
C19 C 0.3397(7) 0.728(3) 0.3446(4) 0.102(3) Uani 1 1 d . U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C3 S1 C5 87.8(5) . .
C14 O13 C12 103.6(7) . .
C5 N2 C2 105.2(8) . .
C12 N20 C19 104.3(8) . .
C2 C1 C3 115.3(10) . 3_656
C2 C1 C12 124.7(9) . .
C12 C1 C3 120.0(9) . 3_656
C1 C2 N2 123.3(10) . .
C3 C2 N2 114.8(9) . .
C3 C2 C1 121.9(8) . .
C1 C3 S1 126.1(9) 3_656 .
C2 C3 S1 111.1(7) . .
C2 C3 C1 122.8(9) . 3_656
N2 C5 S1 121.1(6) . .
N2 C5 C6 119.7(10) . .
C6 C5 S1 119.1(9) . .
C5 C6 H6A 108.6 . .
C5 C6 H6B 108.6 . .
H6A C6 H6B 107.6 . .
C7 C6 C5 114.7(9) . .
C7 C6 H6A 108.6 . .
C7 C6 H6B 108.6 . .
C6 C7 H7A 109.9 . .
C6 C7 H7B 109.9 . .
C6 C7 C8 108.7(10) . .
H7A C7 H7B 108.3 . .
C8 C7 H7A 109.9 . .
C8 C7 H7B 109.9 . .
C7 C8 H8A 108.9 . .
C7 C8 H8B 108.9 . .
H8A C8 H8B 107.7 . .
C9 C8 C7 113.4(12) . .
C9 C8 H8A 108.9 . .
C9 C8 H8B 108.9 . .
C8 C9 H9A 111.2 . .
C8 C9 H9B 111.2 . .
C8 C9 C10 102.9(13) . .
H9A C9 H9B 109.1 . .
C10 C9 H9A 111.2 . .
C10 C9 H9B 111.2 . .
C9 C10 H10A 112.0 . .
C9 C10 H10B 112.0 . .
H10A C10 H10B 109.7 . .
C11 C10 C9 98.8(16) . .
C11 C10 H10A 112.0 . .
C11 C10 H10B 112.0 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11B 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
O13 C12 C1 121.0(9) . .
N20 C12 O13 114.2(9) . .
N20 C12 C1 124.7(8) . .
O13 C14 C15 127.0(9) . .
C19 C14 O13 108.9(9) . .
C19 C14 C15 124.0(11) . .
C14 C15 H15 122.7 . .
C16 C15 C14 114.6(10) . .
C16 C15 H15 122.7 . .
C15 C16 H16 117.7 . .
C15 C16 C17 124.6(10) . .
C17 C16 H16 117.7 . .
C16 C17 H17 120.8 . .
C16 C17 C18 118.4(11) . .
C18 C17 H17 120.8 . .
C17 C18 H18 120.8 . .
C19 C18 C17 118.4(10) . .
C19 C18 H18 120.8 . .
C14 C19 N20 108.9(10) . .
C14 C19 C18 119.9(10) . .
C18 C19 N20 131.3(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
S1 C3 1.713(10) .
S1 C5 1.725(12) .
O13 C12 1.379(10) .
O13 C14 1.379(12) .
N2 C2 1.456(11) .
N2 C5 1.297(12) .
N20 C12 1.306(12) .
N20 C19 1.407(13) .
C1 C2 1.408(13) .
C1 C3 1.428(12) 3_656
C1 C12 1.423(15) .
C2 C3 1.399(15) .
C3 C1 1.428(12) 3_656
C5 C6 1.515(8) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C6 C7 1.498(9) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C7 C8 1.528(9) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C8 C9 1.488(9) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C9 C10 1.521(9) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C10 C11 1.466(10) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C14 C15 1.407(13) .
C14 C19 1.353(13) .
C15 H15 0.9500 .
C15 C16 1.333(14) .
C16 H16 0.9500 .
C16 C17 1.399(13) .
C17 H17 0.9500 .
C17 C18 1.400(14) .
C18 H18 0.9500 .
C18 C19 1.376(15) .
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_4
S1 C5 C6 C7 -101.2(12) . .
O13 C14 C15 C16 177.9(10) . .
O13 C14 C19 N20 0.3(13) . .
O13 C14 C19 C18 -179.7(9) . .
N2 C2 C3 S1 -1.9(12) . .
N2 C2 C3 C1 178.7(9) . 3_656
N2 C5 C6 C7 79.7(14) . .
C1 C2 C3 S1 179.8(8) . .
C1 C2 C3 C1 0.5(18) . 3_656
C2 N2 C5 S1 0.5(12) . .
C2 N2 C5 C6 179.6(9) . .
C2 C1 C12 O13 11.0(16) . .
C2 C1 C12 N20 -173.0(10) . .
C3 S1 C5 N2 -1.4(9) . .
C3 S1 C5 C6 179.6(9) . .
C3 C1 C2 N2 -178.6(9) 3_656 .
C3 C1 C2 C3 -0.5(17) 3_656 .
C3 C1 C12 O13 -169.6(9) 3_656 .
C3 C1 C12 N20 6.4(17) 3_656 .
C5 S1 C3 C1 -179.0(11) . 3_656
C5 S1 C3 C2 1.7(8) . .
C5 N2 C2 C1 179.1(9) . .
C5 N2 C2 C3 0.9(12) . .
C5 C6 C7 C8 -175.7(11) . .
C6 C7 C8 C9 172.1(13) . .
C7 C8 C9 C10 170.8(14) . .
C8 C9 C10 C11 153.7(17) . .
C12 O13 C14 C15 -178.8(10) . .
C12 O13 C14 C19 -1.5(11) . .
C12 N20 C19 C14 1.1(12) . .
C12 N20 C19 C18 -178.9(12) . .
C12 C1 C2 N2 0.9(16) . .
C12 C1 C2 C3 179.0(10) . .
C14 O13 C12 N20 2.3(12) . .
C14 O13 C12 C1 178.7(9) . .
C14 C15 C16 C17 1.2(17) . .
C15 C14 C19 N20 177.7(10) . .
C15 C14 C19 C18 -2.3(18) . .
C15 C16 C17 C18 -1.9(18) . .
C16 C17 C18 C19 0.5(17) . .
C17 C18 C19 N20 -178.6(11) . .
C17 C18 C19 C14 1.5(17) . .
C19 N20 C12 O13 -2.1(12) . .
C19 N20 C12 C1 -178.4(10) . .
C19 C14 C15 C16 1.0(17) . .
