#------------------------------------------------------------------------------
#$Date: 2021-06-20 03:50:51 +0300 (Sun, 20 Jun 2021) $
#$Revision: 266585 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/36/1563603.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_1563603
loop_
_publ_author_name
'Wu, Yong-Jie'
'Xie, Pei-Pei'
'Zhou, Gang'
'Yao, Qi-Jun'
'Hong, Xin'
'Shi, Bing-Feng'
_publ_section_title
;
 Atroposelective synthesis of N-aryl peptoid atropisomers via a
 palladium(ii)-catalyzed asymmetric C--H alkynylation strategy
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D1SC01130H
_journal_year                    2021
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C24 H25 N3 O6'
_chemical_formula_sum            'C24 H25 N3 O6'
_chemical_formula_weight         451.47
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2020-10-21
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-10-24 deposited with the CCDC.	2021-06-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3386(3)
_cell_length_b                   10.3729(3)
_cell_length_c                   24.4089(7)
_cell_measurement_reflns_used    9836
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      68.25
_cell_measurement_theta_min      3.62
_cell_volume                     2364.45(12)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'Bruker Instrument Service vV6.2.10'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 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      170.0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'zju Bruker D8 Venture Ims3.0'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_av_unetI/netI     0.0147
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            28511
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.241
_diffrn_reflns_theta_min         3.621
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.764
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6760
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1432 before and 0.0400 after correction.
The Ratio of minimum to maximum transmission is 0.8976.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.268
_exptl_crystal_description       block
_exptl_crystal_F_000             952
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.196
_refine_diff_density_min         -0.240
_refine_diff_density_rms         0.044
_refine_ls_abs_structure_details
;
 Flack x determined using 1831 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.05(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     322
_refine_ls_number_reflns         4334
_refine_ls_number_restraints     45
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0287
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0430P)²+0.3698P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0733
_refine_ls_wR_factor_ref         0.0734
_reflns_Friedel_coverage         0.744
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                4312
_reflns_number_total             4334
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1sc01130h2.cif
_cod_data_source_block           cu_201020_wyj_5_135_l_0m
_cod_database_code               1563603
_shelx_shelxl_version_number     2018/3
_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   0.894
_shelx_estimated_absorpt_t_min   0.755
_olex2_refinement_description
;
1. 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
2. Restrained distances
 O6-C23 \\sim O6A-C23
 with sigma of 0.02
 O6-C24 \\sim O6A-C24A
 with sigma of 0.02
 C23-C24 \\sim C23-C24A
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
C23 \\sim O6 \\sim C24 \\sim O6A \\sim C24A: within 1.7A with sigma of 0.02 and
sigma for terminal atoms of 0.04
4. Others
 Sof(O6A)=Sof(C24A)=Sof(H24D)=Sof(H24E)=Sof(H24F)=1-FVAR(1)
 Sof(O6)=Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=FVAR(1)
5.a Ternary CH refined with riding coordinates:
 C9(H9)
5.b Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C22(H22A,H22B)
5.c Aromatic/amide H refined with riding coordinates:
 N3(H3), C3(H3A), C4(H4), C5(H5), C14(H14), C15(H15), C17(H17)
5.d Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C19(H19A,H19B,H19C), C24(H24A,H24B,
 H24C), C24A(H24D,H24E,H24F)
5.e :
 C8(H8)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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
O1 O 0.20084(12) 0.00301(11) 0.44213(5) 0.0285(3) Uani 1 1 d . . . . .
O2 O 0.03383(19) 0.12232(16) 0.16210(6) 0.0504(4) Uani 1 1 d . . . . .
O3 O -0.03339(16) -0.08261(14) 0.17576(5) 0.0410(3) Uani 1 1 d . . . . .
O4 O 0.24073(12) 0.27411(11) 0.48246(4) 0.0250(2) Uani 1 1 d . . . . .
O5 O 0.38029(19) 0.55344(14) 0.47760(7) 0.0518(4) Uani 1 1 d . . . . .
N1 N 0.39933(13) 0.10768(13) 0.41135(5) 0.0208(3) Uani 1 1 d . . . . .
N2 N 0.24338(16) 0.12707(15) 0.31209(6) 0.0298(3) Uani 1 1 d . . . . .
N3 N 0.44524(14) 0.31733(13) 0.52794(6) 0.0240(3) Uani 1 1 d . . . . .
H3 H 0.536112 0.297835 0.532669 0.029 Uiso 1 1 calc R . . . .
C1 C 0.51038(16) 0.10768(16) 0.37039(6) 0.0229(3) Uani 1 1 d . . . . .
C2 C 0.56432(18) -0.01249(17) 0.35316(7) 0.0285(4) Uani 1 1 d . . . . .
C3 C 0.6745(2) -0.0164(2) 0.31449(8) 0.0389(4) Uani 1 1 d . . . . .
H3A H 0.711553 -0.096827 0.302467 0.047 Uiso 1 1 calc R . . . .
C4 C 0.7292(2) 0.0969(2) 0.29390(9) 0.0455(5) Uani 1 1 d . . . . .
H4 H 0.802848 0.094417 0.267050 0.055 Uiso 1 1 calc R . . . .
C5 C 0.6779(2) 0.2140(2) 0.31200(8) 0.0384(4) Uani 1 1 d . . . . .
H5 H 0.718369 0.291091 0.297773 0.046 Uiso 1 1 calc R . . . .
C6 C 0.56798(18) 0.22265(17) 0.35063(7) 0.0264(3) Uani 1 1 d . . . . .
C7 C 0.5081(2) -0.12951(17) 0.37562(8) 0.0342(4) Uani 1 1 d . . . . .
C8 C 0.4600(3) -0.2252(2) 0.39504(10) 0.0485(5) Uani 1 1 d . . . . .
H8 H 0.421584 -0.301687 0.410581 0.058 Uiso 1 1 calc R . . . .
C9 C 0.5169(2) 0.35461(16) 0.36878(7) 0.0289(4) Uani 1 1 d . . . . .
H9 H 0.437134 0.341950 0.395598 0.035 Uiso 1 1 calc R . . . .
C10 C 0.6368(2) 0.42800(19) 0.39784(9) 0.0388(4) Uani 1 1 d . . . . .
H10A H 0.671154 0.377292 0.429058 0.058 Uiso 1 1 calc GR . . . .
H10B H 0.600223 0.511065 0.410883 0.058 Uiso 1 1 calc GR . . . .
H10C H 0.715875 0.442699 0.372196 0.058 Uiso 1 1 calc GR . . . .
C11 C 0.4580(3) 0.4308(2) 0.32030(9) 0.0443(5) Uani 1 1 d . . . . .
H11A H 0.534347 0.444694 0.293403 0.066 Uiso 1 1 calc GR . . . .
H11B H 0.422120 0.514344 0.333138 0.066 Uiso 1 1 calc GR . . . .
H11C H 0.379653 0.382475 0.303235 0.066 Uiso 1 1 calc GR . . . .
C12 C 0.27356(17) 0.04253(15) 0.40397(6) 0.0229(3) Uani 1 1 d . . . . .
C13 C 0.21914(17) 0.02858(16) 0.34612(7) 0.0238(3) Uani 1 1 d . . . . .
C14 C 0.13759(19) -0.07894(17) 0.33251(7) 0.0293(4) Uani 1 1 d . . . . .
H14 H 0.123859 -0.146923 0.358052 0.035 Uiso 1 1 calc R . . . .
C15 C 0.07700(19) -0.08442(17) 0.28087(7) 0.0304(4) Uani 1 1 d . . . . .
H15 H 0.021982 -0.157032 0.269947 0.037 Uiso 1 1 calc R . . . .
C16 C 0.09819(17) 0.01845(17) 0.24525(7) 0.0280(4) Uani 1 1 d . . . . .
C17 C 0.18287(19) 0.12073(18) 0.26262(7) 0.0316(4) Uani 1 1 d . . . . .
H17 H 0.198596 0.190033 0.237901 0.038 Uiso 1 1 calc R . . . .
C18 C 0.03097(19) 0.02705(19) 0.18992(7) 0.0322(4) Uani 1 1 d . . . . .
C19 C -0.1004(3) -0.0837(3) 0.12192(8) 0.0511(6) Uani 1 1 d . . . . .
H19A H -0.026258 -0.079188 0.093572 0.077 Uiso 1 1 calc GR . . . .
H19B H -0.164423 -0.009252 0.118493 0.077 Uiso 1 1 calc GR . . . .
H19C H -0.155651 -0.163310 0.117444 0.077 Uiso 1 1 calc GR . . . .
C20 C 0.44254(16) 0.13283(15) 0.46792(6) 0.0221(3) Uani 1 1 d . . . . .
H20A H 0.547260 0.147442 0.469091 0.027 Uiso 1 1 calc R . . . .
H20B H 0.421174 0.055965 0.490533 0.027 Uiso 1 1 calc R . . . .
C21 C 0.36663(16) 0.24931(15) 0.49232(6) 0.0201(3) Uani 1 1 d . . . . .
C22 C 0.38298(18) 0.42231(17) 0.55873(7) 0.0300(4) Uani 1 1 d . . . . .
H22A H 0.443678 0.439714 0.591156 0.036 Uiso 1 1 calc R . . . .
H22B H 0.287405 0.395557 0.572099 0.036 Uiso 1 1 calc R . . . .
C23 C 0.3676(2) 0.54304(19) 0.52672(10) 0.0433(5) Uani 1 1 d D U . . .
O6 O 0.3444(4) 0.6397(2) 0.56324(12) 0.0482(8) Uani 0.778(10) 1 d D U P A 1
C24 C 0.3227(6) 0.7647(3) 0.5387(2) 0.0687(14) Uani 0.778(10) 1 d D U P A 1
H24A H 0.303146 0.828212 0.567492 0.103 Uiso 0.778(10) 1 calc GR . P A 1
H24B H 0.241262 0.760856 0.513467 0.103 Uiso 0.778(10) 1 calc GR . P A 1
H24C H 0.409018 0.789993 0.518563 0.103 Uiso 0.778(10) 1 calc GR . P A 1
O6A O 0.268(2) 0.6306(11) 0.5409(7) 0.078(5) Uani 0.222(10) 1 d D U P A 2
C24A C 0.231(3) 0.7455(19) 0.5081(10) 0.113(9) Uani 0.222(10) 1 d D U P A 2
H24D H 0.164851 0.721141 0.478801 0.170 Uiso 0.222(10) 1 calc GR . P A 2
H24E H 0.318633 0.781592 0.492104 0.170 Uiso 0.222(10) 1 calc GR . P A 2
H24F H 0.185888 0.810102 0.531759 0.170 Uiso 0.222(10) 1 calc GR . P A 2
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'
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_
_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
C18 O3 C19 115.76(17) . . ?
C1 N1 C20 117.19(12) . . ?
C12 N1 C1 121.81(12) . . ?
C12 N1 C20 116.73(13) . . ?
C17 N2 C13 116.93(15) . . ?
C21 N3 H3 119.5 . . ?
C21 N3 C22 120.95(13) . . ?
C22 N3 H3 119.5 . . ?
C2 C1 N1 117.68(15) . . ?
C6 C1 N1 121.18(14) . . ?
C6 C1 C2 121.04(14) . . ?
C1 C2 C7 120.32(15) . . ?
C3 C2 C1 119.37(17) . . ?
C3 C2 C7 120.30(16) . . ?
C2 C3 H3A 120.1 . . ?
C4 C3 C2 119.72(17) . . ?
C4 C3 H3A 120.1 . . ?
C3 C4 H4 119.8 . . ?
C3 C4 C5 120.39(17) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 H5 119.0 . . ?
C4 C5 C6 121.91(19) . . ?
C6 C5 H5 119.0 . . ?
C1 C6 C5 117.53(16) . . ?
C1 C6 C9 123.35(14) . . ?
C5 C6 C9 119.12(16) . . ?
C8 C7 C2 178.7(2) . . ?
C7 C8 H8 180.0 . . ?
C6 C9 H9 107.9 . . ?
C6 C9 C10 110.77(15) . . ?
C6 C9 C11 110.78(15) . . ?
C10 C9 H9 107.9 . . ?
C11 C9 H9 107.9 . . ?
C11 C9 C10 111.45(16) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O1 C12 N1 122.84(14) . . ?
O1 C12 C13 119.59(14) . . ?
N1 C12 C13 117.42(13) . . ?
N2 C13 C12 116.85(14) . . ?
N2 C13 C14 123.89(15) . . ?
C14 C13 C12 119.03(15) . . ?
C13 C14 H14 120.8 . . ?
C15 C14 C13 118.34(16) . . ?
C15 C14 H14 120.8 . . ?
C14 C15 H15 120.7 . . ?
C14 C15 C16 118.70(16) . . ?
C16 C15 H15 120.7 . . ?
C15 C16 C18 123.50(16) . . ?
C17 C16 C15 118.42(15) . . ?
C17 C16 C18 118.04(16) . . ?
N2 C17 C16 123.69(17) . . ?
N2 C17 H17 118.2 . . ?
C16 C17 H17 118.2 . . ?
O2 C18 O3 124.53(17) . . ?
O2 C18 C16 123.53(17) . . ?
O3 C18 C16 111.94(16) . . ?
O3 C19 H19A 109.5 . . ?
O3 C19 H19B 109.5 . . ?
O3 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N1 C20 H20A 109.1 . . ?
N1 C20 H20B 109.1 . . ?
N1 C20 C21 112.50(12) . . ?
H20A C20 H20B 107.8 . . ?
C21 C20 H20A 109.1 . . ?
C21 C20 H20B 109.1 . . ?
O4 C21 N3 122.82(15) . . ?
O4 C21 C20 122.40(14) . . ?
N3 C21 C20 114.65(13) . . ?
N3 C22 H22A 108.8 . . ?
N3 C22 H22B 108.8 . . ?
N3 C22 C23 113.65(15) . . ?
H22A C22 H22B 107.7 . . ?
C23 C22 H22A 108.8 . . ?
C23 C22 H22B 108.8 . . ?
O5 C23 C22 126.02(18) . . ?
O5 C23 O6 126.9(2) . . ?
O5 C23 O6A 105.2(7) . . ?
O6 C23 C22 107.0(2) . . ?
O6A C23 C22 120.1(4) . . ?
C23 O6 C24 114.4(2) . . ?
O6 C24 H24A 109.5 . . ?
O6 C24 H24B 109.5 . . ?
O6 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 O6A C24A 124.4(9) . . ?
O6A C24A H24D 109.5 . . ?
O6A C24A H24E 109.5 . . ?
O6A C24A H24F 109.5 . . ?
H24D C24A H24E 109.5 . . ?
H24D C24A H24F 109.5 . . ?
H24E C24A H24F 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
O1 C12 1.223(2) . ?
O2 C18 1.199(2) . ?
O3 C18 1.332(2) . ?
O3 C19 1.456(2) . ?
O4 C21 1.227(2) . ?
O5 C23 1.209(3) . ?
N1 C1 1.441(2) . ?
N1 C12 1.367(2) . ?
N1 C20 1.4620(19) . ?
N2 C13 1.336(2) . ?
N2 C17 1.335(2) . ?
N3 H3 0.8800 . ?
N3 C21 1.339(2) . ?
N3 C22 1.445(2) . ?
C1 C2 1.409(2) . ?
C1 C6 1.394(2) . ?
C2 C3 1.397(3) . ?
C2 C7 1.432(3) . ?
C3 H3A 0.9500 . ?
C3 C4 1.377(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.379(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.397(2) . ?
C6 C9 1.516(2) . ?
C7 C8 1.188(3) . ?
C8 H8 0.9500 . ?
C9 H9 1.0000 . ?
C9 C10 1.529(3) . ?
C9 C11 1.526(3) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.508(2) . ?
C13 C14 1.391(2) . ?
C14 H14 0.9500 . ?
C14 C15 1.383(2) . ?
C15 H15 0.9500 . ?
C15 C16 1.391(3) . ?
C16 C17 1.390(3) . ?
C16 C18 1.492(2) . ?
C17 H17 0.9500 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.522(2) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C22 C23 1.483(3) . ?
C23 O6 1.359(3) . ?
C23 O6A 1.348(9) . ?
O6 C24 1.443(4) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
O6A C24A 1.474(14) . ?
C24A H24D 0.9800 . ?
C24A H24E 0.9800 . ?
C24A H24F 0.9800 . ?
