#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:32:45 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179753 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/49/7004987.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_7004987
loop_
_publ_author_name
'Izod, Keith'
'Stewart, John C.'
'Clegg, William'
'Harrington, Ross W.'
_publ_section_title
;
 Alkali metal complexes of sterically demanding amino-functionalized
 secondary phosphanide ligands.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              257
_journal_page_last               264
_journal_paper_doi               10.1039/b614373c
_journal_year                    2007
_chemical_formula_moiety         'C21 H45 N3 Na P Si2'
_chemical_formula_sum            'C21 H45 N3 Na P Si2'
_chemical_formula_weight         449.74
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.930(9)
_cell_angle_beta                 103.882(9)
_cell_angle_gamma                103.782(15)
_cell_formula_units_Z            2
_cell_length_a                   9.8078(15)
_cell_length_b                   11.4689(16)
_cell_length_c                   13.6466(9)
_cell_measurement_reflns_used    406
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.50
_cell_volume                     1442.9(3)
_computing_cell_refinement       EvalCCD
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        EvalCCD
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Nonius KappaCCD diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0297
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            31788
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         4.19
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.204
_exptl_absorpt_correction_T_max  0.940
_exptl_absorpt_correction_T_min  0.900
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.035
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             492
_exptl_crystal_size_max          0.52
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.264
_refine_diff_density_min         -0.269
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         6595
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0339
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0441P)²+0.3719P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0864
_refine_ls_wR_factor_ref         0.0942
_reflns_number_gt                5236
_reflns_number_total             6595
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b614373c.txt
_cod_data_source_block           ki253_compound_8
_cod_database_code               7004987
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
P P 0.53278(4) 0.11285(3) 0.80415(2) 0.02054(9) Uani 1 1 d . . .
Si1 Si 0.38361(5) 0.30397(4) 0.70963(3) 0.03298(11) Uani 1 1 d . . .
Si2 Si 0.72951(5) 0.33982(4) 0.74343(3) 0.03354(11) Uani 1 1 d . . .
Na Na 0.28866(6) -0.07730(5) 0.80072(4) 0.02903(14) Uani 1 1 d . . .
N1 N 0.51251(12) -0.14359(10) 0.87126(8) 0.0227(2) Uani 1 1 d . . .
N2 N 0.04808(13) -0.14653(12) 0.83419(9) 0.0326(3) Uani 1 1 d . . .
N3 N 0.14392(13) -0.20855(11) 0.64557(9) 0.0309(3) Uani 1 1 d . . .
C1 C 0.54181(15) 0.23681(12) 0.71383(10) 0.0237(3) Uani 1 1 d . . .
H1A H 0.5250 0.1964 0.6450 0.028 Uiso 1 1 calc R . .
C2 C 0.20883(19) 0.19128(18) 0.64750(14) 0.0498(5) Uani 1 1 d . . .
H2A H 0.2089 0.1692 0.5779 0.075 Uiso 1 1 calc R . .
H2B H 0.1271 0.2267 0.6468 0.075 Uiso 1 1 calc R . .
H2C H 0.1994 0.1192 0.6855 0.075 Uiso 1 1 calc R . .
C3 C 0.3892(3) 0.43585(17) 0.62941(15) 0.0613(6) Uani 1 1 d . . .
H3A H 0.3966 0.4116 0.5621 0.092 Uiso 1 1 calc R . .
H3B H 0.4734 0.5015 0.6613 0.092 Uiso 1 1 calc R . .
H3C H 0.3003 0.4632 0.6230 0.092 Uiso 1 1 calc R . .
C4 C 0.3706(2) 0.35452(19) 0.83782(13) 0.0513(5) Uani 1 1 d . . .
H4A H 0.4593 0.4153 0.8711 0.077 Uiso 1 1 calc R . .
H4B H 0.3588 0.2854 0.8790 0.077 Uiso 1 1 calc R . .
H4C H 0.2869 0.3893 0.8303 0.077 Uiso 1 1 calc R . .
C5 C 0.7558(2) 0.43509(18) 0.63426(15) 0.0602(6) Uani 1 1 d . . .
H5A H 0.7190 0.3841 0.5706 0.090 Uiso 1 1 calc R . .
H5B H 0.8592 0.4727 0.6435 0.090 Uiso 1 1 calc R . .
H5C H 0.7027 0.4978 0.6322 0.090 Uiso 1 1 calc R . .
C6 C 0.7644(2) 0.44189(17) 0.86065(14) 0.0537(5) Uani 1 1 d . . .
H6A H 0.7402 0.3938 0.9156 0.080 Uiso 1 1 calc R . .
H6B H 0.7043 0.4997 0.8469 0.080 Uiso 1 1 calc R . .
H6C H 0.8670 0.4854 0.8805 0.080 Uiso 1 1 calc R . .
C7 C 0.87472(18) 0.25529(18) 0.76552(15) 0.0493(4) Uani 1 1 d . . .
H7A H 0.8702 0.2113 0.7022 0.074 Uiso 1 1 calc R . .
H7B H 0.8599 0.1982 0.8169 0.074 Uiso 1 1 calc R . .
H7C H 0.9699 0.3122 0.7890 0.074 Uiso 1 1 calc R . .
C8 C 0.56855(13) -0.01108(11) 0.73698(9) 0.0187(3) Uani 1 1 d . . .
C9 C 0.60717(14) -0.00271(12) 0.64278(10) 0.0236(3) Uani 1 1 d . . .
H9 H 0.6245 0.0736 0.6157 0.028 Uiso 1 1 calc R . .
C10 C 0.62065(15) -0.10147(13) 0.58861(10) 0.0278(3) Uani 1 1 d . . .
H10 H 0.6453 -0.0915 0.5255 0.033 Uiso 1 1 calc R . .
C11 C 0.59847(16) -0.21408(13) 0.62589(11) 0.0298(3) Uani 1 1 d . . .
H11 H 0.6049 -0.2820 0.5881 0.036 Uiso 1 1 calc R . .
C12 C 0.56640(15) -0.22596(12) 0.72027(10) 0.0261(3) Uani 1 1 d . . .
H12 H 0.5539 -0.3025 0.7473 0.031 Uiso 1 1 calc R . .
C13 C 0.55241(13) -0.12823(12) 0.77558(9) 0.0198(3) Uani 1 1 d . . .
C14 C 0.45443(18) -0.26836(14) 0.89308(12) 0.0364(4) Uani 1 1 d . . .
H14A H 0.5317 -0.3110 0.9048 0.055 Uiso 1 1 calc R . .
H14B H 0.3756 -0.3092 0.8354 0.055 Uiso 1 1 calc R . .
H14C H 0.4173 -0.2679 0.9536 0.055 Uiso 1 1 calc R . .
C15 C 0.63134(16) -0.08385(13) 0.95848(10) 0.0287(3) Uani 1 1 d . . .
H15A H 0.7091 -0.1259 0.9684 0.043 Uiso 1 1 calc R . .
H15B H 0.5948 -0.0859 1.0194 0.043 Uiso 1 1 calc R . .
H15C H 0.6692 0.0000 0.9456 0.043 Uiso 1 1 calc R . .
C16 C -0.01552(19) -0.04147(17) 0.82600(15) 0.0477(4) Uani 1 1 d . . .
H16A H -0.1159 -0.0665 0.8316 0.072 Uiso 1 1 calc R . .
H16B H -0.0139 -0.0084 0.7604 0.072 Uiso 1 1 calc R . .
H16C H 0.0410 0.0202 0.8806 0.072 Uiso 1 1 calc R . .
C17 C 0.0435(2) -0.1960(2) 0.93250(13) 0.0526(5) Uani 1 1 d . . .
H17A H -0.0576 -0.2254 0.9355 0.079 Uiso 1 1 calc R . .
H17B H 0.0943 -0.1329 0.9871 0.079 Uiso 1 1 calc R . .
H17C H 0.0908 -0.2628 0.9403 0.079 Uiso 1 1 calc R . .
C18 C -0.03444(15) -0.24119(15) 0.75219(11) 0.0329(3) Uani 1 1 d . . .
H18A H -0.1393 -0.2535 0.7473 0.040 Uiso 1 1 calc R . .
H18B H -0.0083 -0.3177 0.7701 0.040 Uiso 1 1 calc R . .
C19 C -0.00661(16) -0.21135(15) 0.64939(11) 0.0331(3) Uani 1 1 d . . .
H19A H -0.0750 -0.2722 0.5969 0.040 Uiso 1 1 calc R . .
H19B H -0.0257 -0.1319 0.6336 0.040 Uiso 1 1 calc R . .
C20 C 0.1792(2) -0.14783(18) 0.55755(13) 0.0494(5) Uani 1 1 d . . .
H20A H 0.1144 -0.1925 0.4952 0.074 Uiso 1 1 calc R . .
H20B H 0.2800 -0.1448 0.5578 0.074 Uiso 1 1 calc R . .
H20C H 0.1667 -0.0657 0.5609 0.074 Uiso 1 1 calc R . .
C21 C 0.16200(18) -0.33175(15) 0.63772(14) 0.0436(4) Uani 1 1 d . . .
H21A H 0.0939 -0.3758 0.5763 0.065 Uiso 1 1 calc R . .
H21B H 0.1426 -0.3729 0.6972 0.065 Uiso 1 1 calc R . .
H21C H 0.2615 -0.3286 0.6345 0.065 Uiso 1 1 calc R . .
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'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
Na P C1 126.06(5) . . ?
Na P C8 77.45(4) . . ?
C1 P C8 103.91(6) . . ?
C1 Si1 C2 110.18(7) . . ?
C1 Si1 C3 111.61(9) . . ?
C1 Si1 C4 113.56(7) . . ?
C2 Si1 C3 105.20(10) . . ?
C2 Si1 C4 107.78(9) . . ?
C3 Si1 C4 108.10(9) . . ?
C1 Si2 C5 110.82(8) . . ?
C1 Si2 C6 111.09(8) . . ?
C1 Si2 C7 112.52(7) . . ?
C5 Si2 C6 108.92(9) . . ?
C5 Si2 C7 106.20(10) . . ?
C6 Si2 C7 107.07(9) . . ?
P Na N1 70.53(3) . . ?
P Na N2 148.88(4) . . ?
P Na N3 123.52(4) . . ?
P Na C8 36.34(3) . . ?
P Na C13 59.87(3) . . ?
N1 Na N2 128.96(5) . . ?
N1 Na N3 109.32(4) . . ?
N1 Na C8 52.68(4) . . ?
N1 Na C13 30.29(4) . . ?
N2 Na N3 76.74(4) . . ?
N2 Na C8 173.28(4) . . ?
N2 Na C13 149.74(5) . . ?
N3 Na C8 96.55(4) . . ?
N3 Na C13 91.34(4) . . ?
C8 Na C13 28.18(3) . . ?
Na N1 C13 90.41(7) . . ?
Na N1 C14 102.19(9) . . ?
Na N1 C15 125.99(9) . . ?
C13 N1 C14 116.21(11) . . ?
C13 N1 C15 112.70(10) . . ?
C14 N1 C15 108.70(11) . . ?
Na N2 C16 106.28(10) . . ?
Na N2 C17 116.73(10) . . ?
Na N2 C18 105.06(8) . . ?
C16 N2 C17 108.93(14) . . ?
C16 N2 C18 110.79(13) . . ?
C17 N2 C18 108.95(13) . . ?
Na N3 C19 101.90(9) . . ?
Na N3 C20 107.90(10) . . ?
Na N3 C21 117.48(10) . . ?
C19 N3 C20 110.95(13) . . ?
C19 N3 C21 110.31(12) . . ?
C20 N3 C21 108.16(13) . . ?
P C1 Si1 107.92(7) . . ?
P C1 Si2 110.44(7) . . ?
P C1 H1A 106.3 . . ?
Si1 C1 Si2 118.71(7) . . ?
Si1 C1 H1A 106.3 . . ?
Si2 C1 H1A 106.3 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si2 C5 H5A 109.5 . . ?
Si2 C5 H5B 109.5 . . ?
Si2 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
P C8 Na 66.20(4) . . ?
P C8 C9 124.14(10) . . ?
P C8 C13 120.75(9) . . ?
Na C8 C9 135.31(9) . . ?
Na C8 C13 70.96(7) . . ?
C9 C8 C13 115.05(11) . . ?
C8 C9 H9 118.5 . . ?
C8 C9 C10 122.91(13) . . ?
H9 C9 C10 118.5 . . ?
C9 C10 H10 119.7 . . ?
C9 C10 C11 120.54(13) . . ?
H10 C10 C11 119.7 . . ?
C10 C11 H11 120.6 . . ?
C10 C11 C12 118.71(13) . . ?
H11 C11 C12 120.6 . . ?
C11 C12 H12 119.2 . . ?
C11 C12 C13 121.56(13) . . ?
H12 C12 C13 119.2 . . ?
Na C13 N1 59.31(6) . . ?
Na C13 C8 80.86(7) . . ?
Na C13 C12 127.56(9) . . ?
N1 C13 C8 118.09(11) . . ?
N1 C13 C12 120.70(12) . . ?
C8 C13 C12 121.12(12) . . ?
N1 C14 H14A 109.5 . . ?
N1 C14 H14B 109.5 . . ?
N1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N1 C15 H15A 109.5 . . ?
N1 C15 H15B 109.5 . . ?
N1 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N2 C16 H16A 109.5 . . ?
N2 C16 H16B 109.5 . . ?
N2 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N2 C17 H17A 109.5 . . ?
N2 C17 H17B 109.5 . . ?
N2 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 H18A 108.9 . . ?
N2 C18 H18B 108.9 . . ?
N2 C18 C19 113.44(12) . . ?
H18A C18 H18B 107.7 . . ?
H18A C18 C19 108.9 . . ?
H18B C18 C19 108.9 . . ?
N3 C19 C18 112.58(12) . . ?
N3 C19 H19A 109.1 . . ?
N3 C19 H19B 109.1 . . ?
C18 C19 H19A 109.1 . . ?
C18 C19 H19B 109.1 . . ?
H19A C19 H19B 107.8 . . ?
N3 C20 H20A 109.5 . . ?
N3 C20 H20B 109.5 . . ?
N3 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N3 C21 H21A 109.5 . . ?
N3 C21 H21B 109.5 . . ?
N3 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 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
P Na 2.8189(8) . ?
P C1 1.8967(13) . ?
P C8 1.8257(13) . ?
Si1 C1 1.8794(14) . ?
Si1 C2 1.881(2) . ?
Si1 C3 1.8794(18) . ?
Si1 C4 1.8768(17) . ?
Si2 C1 1.8813(15) . ?
Si2 C5 1.8928(18) . ?
Si2 C6 1.8793(18) . ?
Si2 C7 1.876(2) . ?
Na N1 2.4758(13) . ?
Na N2 2.4582(13) . ?
Na N3 2.4900(14) . ?
Na C8 3.0072(14) . ?
Na C13 2.8792(14) . ?
N1 C13 1.4522(16) . ?
N1 C14 1.4723(18) . ?
N1 C15 1.4737(18) . ?
N2 C16 1.477(2) . ?
N2 C17 1.472(2) . ?
N2 C18 1.4809(19) . ?
N3 C19 1.4825(18) . ?
N3 C20 1.469(2) . ?
N3 C21 1.471(2) . ?
C1 H1A 1.000 . ?
C2 H2A 0.980 . ?
C2 H2B 0.980 . ?
C2 H2C 0.980 . ?
C3 H3A 0.980 . ?
C3 H3B 0.980 . ?
C3 H3C 0.980 . ?
C4 H4A 0.980 . ?
C4 H4B 0.980 . ?
C4 H4C 0.980 . ?
C5 H5A 0.980 . ?
C5 H5B 0.980 . ?
C5 H5C 0.980 . ?
C6 H6A 0.980 . ?
C6 H6B 0.980 . ?
C6 H6C 0.980 . ?
C7 H7A 0.980 . ?
C7 H7B 0.980 . ?
C7 H7C 0.980 . ?
C8 C9 1.4231(17) . ?
C8 C13 1.4385(18) . ?
C9 H9 0.950 . ?
C9 C10 1.3922(19) . ?
C10 H10 0.950 . ?
C10 C11 1.384(2) . ?
C11 H11 0.950 . ?
C11 C12 1.399(2) . ?
C12 H12 0.950 . ?
C12 C13 1.3930(19) . ?
C14 H14A 0.980 . ?
C14 H14B 0.980 . ?
C14 H14C 0.980 . ?
C15 H15A 0.980 . ?
C15 H15B 0.980 . ?
C15 H15C 0.980 . ?
C16 H16A 0.980 . ?
C16 H16B 0.980 . ?
C16 H16C 0.980 . ?
C17 H17A 0.980 . ?
C17 H17B 0.980 . ?
C17 H17C 0.980 . ?
C18 H18A 0.990 . ?
C18 H18B 0.990 . ?
C18 C19 1.521(2) . ?
C19 H19A 0.990 . ?
C19 H19B 0.990 . ?
C20 H20A 0.980 . ?
C20 H20B 0.980 . ?
C20 H20C 0.980 . ?
C21 H21A 0.980 . ?
C21 H21B 0.980 . ?
C21 H21C 0.980 . ?
