#------------------------------------------------------------------------------
#$Date: 2020-09-23 04:11:18 +0300 (Wed, 23 Sep 2020) $
#$Revision: 256636 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/91/1559149.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_1559149
loop_
_publ_author_name
'Wang, Xin'
'Li, Zi-Qi'
'Mai, Binh Khanh'
'Gurak, John A.'
'Xu, Jessica E.'
'Tran, Van T.'
'Ni, Hui-Qi'
'Liu, Zhen'
'Liu, Zhonglin'
'Yang, Kin'
'Xiang, Rong'
'Liu, Peng'
'Engle, Keary M.'
_publ_section_title
;
 Controlling Cyclization Pathways in Palladium(II)-Catalyzed
 Intramolecular Alkene Hydrofunctionalization via Substrate Directivity
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D0SC03409F
_journal_year                    2020
_chemical_formula_moiety         'C24 H25 N3 O3 Pd S'
_chemical_formula_sum            'C24 H25 N3 O3 Pd S'
_chemical_formula_weight         541.93
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2019-05-24
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-04-06 deposited with the CCDC.	2020-09-17 downloaded from the CCDC.
;
_cell_angle_alpha                111.695(3)
_cell_angle_beta                 91.745(3)
_cell_angle_gamma                93.375(4)
_cell_formula_units_Z            2
_cell_length_a                   8.2960(9)
_cell_length_b                   11.0174(14)
_cell_length_c                   12.5614(12)
_cell_measurement_reflns_used    5561
_cell_measurement_temperature    100
_cell_measurement_theta_max      27.488
_cell_measurement_theta_min      2.463
_cell_volume                     1063.3(2)
_computing_cell_refinement       'SAINT v8.38A (Bruker, 2017)'
_computing_data_collection       'APEX3 v2017.3-0 (Bruker, 2017)'
_computing_data_reduction        'SAINT v8.38A (Bruker, 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)'
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker APEX-II CCD'
_diffrn_detector_area_resol_mean 8.258
_diffrn_detector_type            'CCD Area Detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'Kappa Four-Circle Diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II Ultra'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'Double Bounce Multilayer Mirrors'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0238
_diffrn_reflns_av_unetI/netI     0.0356
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11304
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.492
_diffrn_reflns_theta_min         1.748
_diffrn_source                   'Micro Focus Rotating Anode'
_diffrn_source_type              'Bruker TXS'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.004
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7048
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0645 before and 0.0303 after correction. The Ratio of minimum to maximum transmission is 0.9453. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.693
_exptl_crystal_description       needle
_exptl_crystal_F_000             552
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.829
_refine_diff_density_min         -0.525
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         4882
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0374
_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)+(0.0482P)²+2.7918P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0981
_refine_ls_wR_factor_ref         0.1020
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4363
_reflns_number_total             4882
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc03409f3.cif
_cod_data_source_block           engle189_0m_a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        1063.2(2)
_cod_database_code               1559149
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_max   0.951
_shelx_estimated_absorpt_t_min   0.766
_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.a Ternary CH refined with riding coordinates:
 C12(H12), C13(H13)
2.b Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C16(H16A,H16B), C17(H17A,H17B), C15(H15A,H15B), C11(H11A,H11B)
2.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C22(H22), C23(H23), C2(H2), C1(H1), C5(H5), C20(H20),
 C19(H19), C3(H3)
2.d Idealised Me refined as rotating group:
 C24(H24A,H24B,H24C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Pd1 Pd 0.25131(3) 0.32584(3) 0.71836(2) 0.01366(9) Uani 1 1 d . . . . .
S1 S 0.57879(10) 0.49329(8) 0.76502(7) 0.01559(18) Uani 1 1 d . . . . .
O2 O 0.5904(3) 0.4087(3) 0.8291(2) 0.0224(6) Uani 1 1 d . . . . .
O3 O 0.6916(3) 0.4768(3) 0.6761(2) 0.0223(6) Uani 1 1 d . . . . .
N1 N 0.1322(4) 0.1667(3) 0.7209(2) 0.0152(6) Uani 1 1 d . . . . .
N3 N 0.3971(3) 0.4810(3) 0.7172(2) 0.0149(6) Uani 1 1 d . . . . .
O1 O -0.0448(3) 0.0810(3) 0.8168(2) 0.0269(6) Uani 1 1 d . . . . .
N2 N 0.3312(4) 0.1919(3) 0.5695(2) 0.0159(6) Uani 1 1 d . . . . .
C9 C 0.2573(4) 0.0686(3) 0.5441(3) 0.0156(7) Uani 1 1 d . . . . .
C6 C 0.1148(5) -0.1789(4) 0.5027(3) 0.0245(8) Uani 1 1 d . . . . .
H6 H 0.0681 -0.2642 0.4903 0.029 Uiso 1 1 calc R . . . .
C7 C 0.0815(5) -0.0732(3) 0.6039(3) 0.0197(7) Uani 1 1 d . . . . .
H7 H 0.0106 -0.0878 0.6566 0.024 Uiso 1 1 calc R . . . .
C22 C 0.7367(4) 0.8767(4) 0.9073(3) 0.0223(8) Uani 1 1 d . . . . .
H22 H 0.7963 0.9383 0.8843 0.027 Uiso 1 1 calc R . . . .
C18 C 0.6176(4) 0.6580(3) 0.8634(3) 0.0147(7) Uani 1 1 d . . . . .
C23 C 0.7046(4) 0.7485(3) 0.8304(3) 0.0176(7) Uani 1 1 d . . . . .
H23 H 0.7423 0.7228 0.7551 0.021 Uiso 1 1 calc R . . . .
C4 C 0.2840(4) -0.0359(4) 0.4412(3) 0.0193(7) Uani 1 1 d . . . . .
C8 C 0.1521(4) 0.0508(3) 0.6258(3) 0.0157(7) Uani 1 1 d . . . . .
C14 C 0.1021(5) 0.6007(4) 0.8057(3) 0.0199(7) Uani 1 1 d . . . . .
H14A H 0.2148 0.6308 0.8364 0.024 Uiso 1 1 calc R . . . .
H14B H 0.0300 0.6598 0.8592 0.024 Uiso 1 1 calc R . . . .
C16 C 0.1916(5) 0.5358(4) 0.5987(3) 0.0214(8) Uani 1 1 d . . . . .
H16A H 0.1543 0.4418 0.5722 0.026 Uiso 1 1 calc R . . . .
H16B H 0.1823 0.5628 0.5320 0.026 Uiso 1 1 calc R . . . .
C2 C 0.4518(5) 0.1159(4) 0.3887(3) 0.0266(9) Uani 1 1 d . . . . .
H2 H 0.5172 0.1354 0.3355 0.032 Uiso 1 1 calc R . . . .
C1 C 0.4260(4) 0.2145(4) 0.4949(3) 0.0200(7) Uani 1 1 d . . . . .
H1 H 0.4782 0.2995 0.5137 0.024 Uiso 1 1 calc R . . . .
C17 C 0.3671(5) 0.5526(4) 0.6403(3) 0.0215(8) Uani 1 1 d . . . . .
H17A H 0.4348 0.5200 0.5734 0.026 Uiso 1 1 calc R . . . .
H17B H 0.3989 0.6469 0.6818 0.026 Uiso 1 1 calc R . . . .
C5 C 0.2115(5) -0.1620(4) 0.4227(3) 0.0241(8) Uani 1 1 d . . . . .
H5 H 0.2300 -0.2343 0.3551 0.029 Uiso 1 1 calc R . . . .
C12 C 0.1357(4) 0.4169(4) 0.8800(3) 0.0184(7) Uani 1 1 d . . . . .
H12 H 0.2058 0.4816 0.9446 0.022 Uiso 1 1 calc R . . . .
C13 C 0.0665(4) 0.4644(4) 0.8040(3) 0.0193(7) Uani 1 1 d . . . . .
H13 H -0.0475 0.4283 0.7780 0.023 Uiso 1 1 calc R . . . .
C20 C 0.5933(5) 0.8244(4) 1.0485(3) 0.0257(8) Uani 1 1 d . . . . .
H20 H 0.5545 0.8502 1.1234 0.031 Uiso 1 1 calc R . . . .
C10 C 0.0376(4) 0.1721(4) 0.8090(3) 0.0187(7) Uani 1 1 d . . . . .
C21 C 0.6823(5) 0.9155(4) 1.0175(3) 0.0229(8) Uani 1 1 d . . . . .
C19 C 0.5595(4) 0.6953(4) 0.9718(3) 0.0209(8) Uani 1 1 d . . . . .
H19 H 0.4975 0.6342 0.9939 0.025 Uiso 1 1 calc R . . . .
C3 C 0.3827(5) -0.0071(4) 0.3626(3) 0.0251(8) Uani 1 1 d . . . . .
H3 H 0.4007 -0.0740 0.2912 0.030 Uiso 1 1 calc R . . . .
C15 C 0.0811(5) 0.6138(4) 0.6890(3) 0.0200(7) Uani 1 1 d . . . . .
H15A H -0.0323 0.5858 0.6593 0.024 Uiso 1 1 calc R . . . .
H15B H 0.1000 0.7075 0.7005 0.024 Uiso 1 1 calc R . . . .
C11 C 0.0476(5) 0.3069(4) 0.9052(3) 0.0208(7) Uani 1 1 d . . . . .
H11A H -0.0639 0.3309 0.9248 0.025 Uiso 1 1 calc R . . . .
H11B H 0.1020 0.3003 0.9739 0.025 Uiso 1 1 calc R . . . .
C24 C 0.7198(6) 1.0541(4) 1.1029(4) 0.0355(11) Uani 1 1 d . . . . .
H24A H 0.7537 1.0519 1.1776 0.053 Uiso 1 1 calc GR . . . .
H24B H 0.6229 1.1028 1.1107 0.053 Uiso 1 1 calc GR . . . .
H24C H 0.8070 1.0973 1.0758 0.053 Uiso 1 1 calc GR . . . .
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'
Pd Pd -0.9988 1.0072 '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
_geom_angle_publ_flag
N1 Pd1 N3 173.73(12) . . ?
N1 Pd1 N2 81.49(12) . . ?
N1 Pd1 C12 82.26(13) . . ?
N1 Pd1 C13 96.28(13) . . ?
N3 Pd1 N2 95.61(12) . . ?
N3 Pd1 C12 100.39(13) . . ?
N3 Pd1 C13 89.10(13) . . ?
N2 Pd1 C12 163.65(13) . . ?
N2 Pd1 C13 148.56(13) . . ?
C12 Pd1 C13 36.17(14) . . ?
O2 S1 O3 116.66(16) . . ?
O2 S1 N3 108.11(15) . . ?
O2 S1 C18 107.77(16) . . ?
O3 S1 N3 111.89(16) . . ?
O3 S1 C18 105.70(16) . . ?
N3 S1 C18 106.11(16) . . ?
C8 N1 Pd1 115.2(2) . . ?
C10 N1 Pd1 120.9(2) . . ?
C10 N1 C8 123.9(3) . . ?
S1 N3 Pd1 117.34(16) . . ?
C17 N3 Pd1 123.8(2) . . ?
C17 N3 S1 115.1(2) . . ?
C9 N2 Pd1 111.8(2) . . ?
C1 N2 Pd1 128.2(3) . . ?
C1 N2 C9 119.6(3) . . ?
N2 C9 C4 121.3(3) . . ?
N2 C9 C8 117.3(3) . . ?
C4 C9 C8 121.4(3) . . ?
C7 C6 H6 118.9 . . ?
C5 C6 H6 118.9 . . ?
C5 C6 C7 122.1(4) . . ?
C6 C7 H7 120.0 . . ?
C8 C7 C6 120.1(4) . . ?
C8 C7 H7 120.0 . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C21 C22 C23 120.5(3) . . ?
C23 C18 S1 119.9(3) . . ?
C19 C18 S1 119.7(3) . . ?
C19 C18 C23 120.3(3) . . ?
C22 C23 H23 120.0 . . ?
C18 C23 C22 120.1(3) . . ?
C18 C23 H23 120.0 . . ?
C9 C4 C5 118.7(3) . . ?
C9 C4 C3 117.3(3) . . ?
C3 C4 C5 124.0(4) . . ?
N1 C8 C9 114.1(3) . . ?
C7 C8 N1 127.8(3) . . ?
C7 C8 C9 118.2(3) . . ?
H14A C14 H14B 107.5 . . ?
C13 C14 H14A 108.5 . . ?
C13 C14 H14B 108.5 . . ?
C13 C14 C15 115.0(3) . . ?
C15 C14 H14A 108.5 . . ?
C15 C14 H14B 108.5 . . ?
H16A C16 H16B 107.7 . . ?
C17 C16 H16A 108.8 . . ?
C17 C16 H16B 108.8 . . ?
C17 C16 C15 113.9(3) . . ?
C15 C16 H16A 108.8 . . ?
C15 C16 H16B 108.8 . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
C3 C2 C1 119.7(4) . . ?
N2 C1 C2 121.7(4) . . ?
N2 C1 H1 119.1 . . ?
C2 C1 H1 119.1 . . ?
N3 C17 C16 111.7(3) . . ?
N3 C17 H17A 109.3 . . ?
N3 C17 H17B 109.3 . . ?
C16 C17 H17A 109.3 . . ?
C16 C17 H17B 109.3 . . ?
H17A C17 H17B 107.9 . . ?
C6 C5 C4 119.5(3) . . ?
C6 C5 H5 120.3 . . ?
C4 C5 H5 120.3 . . ?
Pd1 C12 H12 116.1 . . ?
C13 C12 Pd1 73.9(2) . . ?
C13 C12 H12 116.1 . . ?
C13 C12 C11 120.0(3) . . ?
C11 C12 Pd1 106.7(2) . . ?
C11 C12 H12 116.1 . . ?
Pd1 C13 H13 113.7 . . ?
C14 C13 Pd1 113.7(2) . . ?
C14 C13 H13 113.7 . . ?
C12 C13 Pd1 69.9(2) . . ?
C12 C13 C14 124.5(3) . . ?
C12 C13 H13 113.7 . . ?
C21 C20 H20 119.3 . . ?
C21 C20 C19 121.4(4) . . ?
C19 C20 H20 119.3 . . ?
N1 C10 C11 113.3(3) . . ?
O1 C10 N1 126.1(3) . . ?
O1 C10 C11 120.6(3) . . ?
C22 C21 C24 121.0(4) . . ?
C20 C21 C22 118.6(3) . . ?
C20 C21 C24 120.4(4) . . ?
C18 C19 C20 119.0(3) . . ?
C18 C19 H19 120.5 . . ?
C20 C19 H19 120.5 . . ?
C4 C3 H3 119.9 . . ?
C2 C3 C4 120.2(4) . . ?
C2 C3 H3 119.9 . . ?
C14 C15 H15A 108.5 . . ?
C14 C15 H15B 108.5 . . ?
C16 C15 C14 115.3(3) . . ?
C16 C15 H15A 108.5 . . ?
C16 C15 H15B 108.5 . . ?
H15A C15 H15B 107.5 . . ?
C12 C11 C10 116.0(3) . . ?
C12 C11 H11A 108.3 . . ?
C12 C11 H11B 108.3 . . ?
C10 C11 H11A 108.3 . . ?
C10 C11 H11B 108.3 . . ?
H11A C11 H11B 107.4 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 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
Pd1 N1 1.972(3) . ?
Pd1 N3 2.040(3) . ?
Pd1 N2 2.065(3) . ?
Pd1 C12 2.185(3) . ?
Pd1 C13 2.236(4) . ?
S1 O2 1.445(3) . ?
S1 O3 1.445(3) . ?
S1 N3 1.585(3) . ?
S1 C18 1.781(3) . ?
N1 C8 1.412(4) . ?
N1 C10 1.361(5) . ?
N3 C17 1.480(4) . ?
O1 C10 1.217(5) . ?
N2 C9 1.375(4) . ?
N2 C1 1.324(5) . ?
C9 C4 1.412(5) . ?
C9 C8 1.427(5) . ?
C6 H6 0.9500 . ?
C6 C7 1.419(5) . ?
C6 C5 1.363(6) . ?
C7 H7 0.9500 . ?
C7 C8 1.379(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.389(5) . ?
C22 C21 1.388(6) . ?
C18 C23 1.388(5) . ?
C18 C19 1.380(5) . ?
C23 H23 0.9500 . ?
C4 C5 1.414(5) . ?
C4 C3 1.413(6) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C13 1.505(5) . ?
C14 C15 1.531(5) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.509(5) . ?
C16 C15 1.516(5) . ?
C2 H2 0.9500 . ?
C2 C1 1.407(5) . ?
C2 C3 1.357(6) . ?
C1 H1 0.9500 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C5 H5 0.9500 . ?
C12 H12 1.0000 . ?
C12 C13 1.373(5) . ?
C12 C11 1.516(5) . ?
C13 H13 1.0000 . ?
C20 H20 0.9500 . ?
C20 C21 1.387(6) . ?
C20 C19 1.397(6) . ?
C10 C11 1.525(5) . ?
C21 C24 1.514(5) . ?
C19 H19 0.9500 . ?
C3 H3 0.9500 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
