#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/05/2010554.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2010554
loop_
_publ_author_name
'Nakagawa, Hiroo'
'Kani, Yoshiyuki'
'Tsuchimoto, Masanobu'
'Ohba, Shigeru'
'Matsushima, Hideaki'
'Tokii, Tadashi'
_publ_section_title
;
 Dimeric copper(II) trimethylsilylacetate adducts with pyridine,
 2-methylpyridine, 3-methylpyridine and quinoline, and a polymeric
 copper(II) trimethylsilylacetate
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              12
_journal_page_last               16
_journal_paper_doi               10.1107/S0108270199012147
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Cu2 (C5 H11 O2 Si1)4 (C6 H7 N1)2 ]'
_chemical_formula_moiety         'C32 H58 Cu2 N2 O8 Si4 '
_chemical_formula_sum            'C32 H58 Cu2 N2 O8 Si4'
_chemical_formula_weight         838.26
_chemical_name_systematic
;
tetrakis(μ-trimethylsilylacetato-O:O')di(2-methylpyridine-N)dicopper(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.26(2)
_cell_angle_beta                 109.10(2)
_cell_angle_gamma                74.91(2)
_cell_formula_units_Z            1
_cell_length_a                   10.874(2)
_cell_length_b                   11.508(2)
_cell_length_c                   10.330(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     1160.9(4)
_computing_cell_refinement       ' MSC/AFC Diffractometer Control Software'
_computing_data_collection
; MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1993)
;
_computing_data_reduction
' TEXSAN (Molecular Structure Corporation, 1998)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       θ-2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .009
_diffrn_reflns_av_sigmaI/netI    .031
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8822
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         32.5
_diffrn_reflns_theta_min         2.5
_diffrn_standards_decay_%        10.1
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.060
_exptl_absorpt_correction_T_max  .809
_exptl_absorpt_correction_T_min  .567
_exptl_absorpt_correction_type   \y-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.199
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate-like
_exptl_crystal_F_000             442
_exptl_crystal_size_max          .5
_exptl_crystal_size_mid          .5
_exptl_crystal_size_min          .2
_refine_diff_density_max         .45
_refine_diff_density_min         -.32
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.39
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     253
_refine_ls_number_reflns         5352
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           .051
_refine_ls_shift/su_max          .03
_refine_ls_shift/su_mean         .0031
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00181|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .079
_reflns_number_gt                5169
_reflns_number_total             8412
_reflns_threshold_expression     'I > 1.5σ(I)'
_cod_data_source_file            oa1095.cif
_cod_data_source_block           II
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C32 H58 Cu2 N2 O8 Si4 '
_cod_database_code               2010554
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_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_type_symbol
Cu1 -.10007(3) -.01009(3) -.95868(3) .05532(10) Uani 1.00 Cu
Si1 -.27360(10) .37650(10) -1.1944(2) .1130(5) Uani 1.00 Si
Si2 .15770(10) .24290(10) -.52670(10) .0919(3) Uani 1.00 Si
O1 -.2106(2) .0936(2) -1.0981(2) .0778(7) Uani 1.00 O
O2 -.0416(2) .1116(2) -1.1633(2) .0725(6) Uani 1.00 O
O3 -.0549(2) .1365(2) -.8262(3) .0806(7) Uani 1.00 O
O4 .1172(3) .1517(2) -.8893(2) .0824(7) Uani 1.00 O
N1 -.2633(3) -.0253(4) -.8793(3) .0884(10) Uani 1.00 N
C1 -.1631(3) .1307(3) -1.1711(3) .0637(7) Uani 1.00 C
C2 -.2580(4) .2098(4) -1.2728(4) .0880(10) Uani 1.00 C
C3 -.320(2) .4042(8) -1.0420(10) .319(8) Uani 1.00 C
C4 -.3940(10) .4687(8) -1.3170(10) .290(6) Uani 1.00 C
C5 -.1162(9) .4185(7) -1.150(2) .302(6) Uani 1.00 C
C6 .0395(4) .1870(3) -.8144(3) .0703(8) Uani 1.00 C
C7 .0630(5) .2913(3) -.6984(4) .0920(10) Uani 1.00 C
C8 .1841(8) .3815(6) -.3964(6) .158(2) Uani 1.00 C
C9 .3179(8) .1508(9) -.5400(8) .186(3) Uani 1.00 C
C10 .0712(10) .1400(8) -.4901(7) .183(3) Uani 1.00 C
C11 -.3480(10) .043(2) -.8310(10) .100(4) Uani .50 C
C12 -.4753(8) .0120(10) -.8051(9) .165(4) Uani 1.00 C
C13 -.4568(7) -.0990(10) -.8522(8) .150(3) Uani 1.00 C
C14 -.3740(9) -.193(2) -.898(2) .167(6) Uani .50 C
C15 -.2696(9) -.1670(10) -.9250(10) .097(4) Uani .50 C
C16 -.340(2) .170(2) -.800(2) .168(6) Uani .50 C
C17 -.3211(10) -.1110(10) -.8913(8) .084(3) Uani .50 C
C18 -.4311(9) .1200(10) -.7690(10) .126(4) Uani .50 C
C19 -.3190(10) .0980(10) -.816(2) .096(4) Uani .50 C
C20 -.271(2) -.2340(10) -.958(2) .137(5) Uani .50 C
H1 -.3438 .1885 -1.3007 .1060 Uiso 1.00 H
H2 -.2262 .1952 -1.3530 .1060 Uiso 1.00 H
H3 -.3242 .4893 -1.0012 .3847 Uiso 1.00 H
H4 -.4031 .3825 -1.0616 .3847 Uiso 1.00 H
H5 -.2530 .3560 -.9773 .3847 Uiso 1.00 H
H6 -.3982 .5537 -1.2770 .3497 Uiso 1.00 H
H7 -.3680 .4520 -1.4011 .3497 Uiso 1.00 H
H8 -.4798 .4488 -1.3381 .3497 Uiso 1.00 H
H9 -.0527 .3706 -1.0833 .3629 Uiso 1.00 H
H10 -.0875 .4045 -1.2308 .3629 Uiso 1.00 H
H11 -.1239 .5038 -1.1077 .3629 Uiso 1.00 H
H12 -.0213 .3406 -.6910 .1106 Uiso 1.00 H
H13 .1124 .3390 -.7191 .1106 Uiso 1.00 H
H14 .2365 .3595 -.3082 .1893 Uiso 1.00 H
H15 .2296 .4279 -.4250 .1893 Uiso 1.00 H
H16 .0998 .4306 -.3882 .1893 Uiso 1.00 H
H17 .3663 .1221 -.4541 .2218 Uiso 1.00 H
H18 .3056 .0826 -.6145 .2218 Uiso 1.00 H
H19 .3680 .2000 -.5582 .2218 Uiso 1.00 H
H20 -.0151 .1843 -.4823 .2197 Uiso 1.00 H
H21 .0613 .0714 -.5647 .2197 Uiso 1.00 H
H22 .1220 .1121 -.4045 .2197 Uiso 1.00 H
H23 -.5434 .0645 -.7652 .1989 Uiso .50 H
H24 -.5334 -.1282 -.8569 .1811 Uiso .50 H
H25 -.3858 -.2753 -.9123 .1965 Uiso .50 H
H26 -.2074 -.2277 -.9664 .1167 Uiso .50 H
H27 -.2576 .1806 -.7323 .1993 Uiso .50 H
H28 -.3470 .1963 -.8830 .1993 Uiso .50 H
H29 -.4124 .2163 -.7626 .1993 Uiso .50 H
H30 -.5073 -.1595 -.8623 .1811 Uiso .50 H
H31 -.5590 .0318 -.7842 .1989 Uiso .50 H
H32 -.4696 .1971 -.7204 .1500 Uiso .50 H
H33 -.2774 .1649 -.8075 .1148 Uiso .50 H
H34 -.3244 -.2889 -.9583 .1633 Uiso .50 H
H35 -.2743 -.2332 -1.0512 .1633 Uiso .50 H
H36 -.1806 -.2614 -.9061 .1633 Uiso .50 H
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .003 .002
;International Tables for Crystallography
(1992, Vol. C)
;
H H .000 .000
;International Tables for Crystallography
(1992, Vol. C)
;
Cu Cu .320 1.265
;International Tables for Crystallography
(1992, Vol. C)
;
N N .006 .003
;International Tables for Crystallography
(1992, Vol. C)
;
O O .011 .006
;International Tables for Crystallography
(1992, Vol. C)
;
Si Si .082 .070
;International Tables for Crystallography
(1992, Vol. C)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
0 0 -3
0 -1 -2
1 1 -2
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Cu1 Cu1 O1 2_553 1_555 1_555 84.40(10) no
Cu1 Cu1 O2 2_553 1_555 2_553 82.80(10) no
Cu1 Cu1 O3 2_553 1_555 1_555 82.10(10) no
Cu1 Cu1 O4 2_553 1_555 2_553 85.20(10) no
Cu1 Cu1 N1 2_553 1_555 1_555 177.50(10) no
O1 Cu1 O2 1_555 1_555 2_553 167.10(10) yes
O1 Cu1 O3 1_555 1_555 1_555 89.40(10) no
O1 Cu1 O4 1_555 1_555 2_553 87.50(10) no
O1 Cu1 N1 1_555 1_555 1_555 97.40(10) no
O2 Cu1 O3 2_553 1_555 1_555 89.80(10) no
O2 Cu1 O4 2_553 1_555 2_553 90.50(10) no
O2 Cu1 N1 2_553 1_555 1_555 95.50(10) no
O3 Cu1 O4 1_555 1_555 2_553 167.20(10) yes
O3 Cu1 N1 1_555 1_555 1_555 96.10(10) no
O4 Cu1 N1 2_553 1_555 1_555 96.70(10) no
C2 Si1 C3 1_555 1_555 1_555 110.1(3) no
C2 Si1 C4 1_555 1_555 1_555 110.5(4) no
C2 Si1 C5 1_555 1_555 1_555 109.2(3) no
C3 Si1 C4 1_555 1_555 1_555 110.3(7) no
C3 Si1 C5 1_555 1_555 1_555 107.4(8) no
C4 Si1 C5 1_555 1_555 1_555 109.2(6) no
C7 Si2 C8 1_555 1_555 1_555 107.7(2) no
C7 Si2 C9 1_555 1_555 1_555 108.6(3) no
C7 Si2 C10 1_555 1_555 1_555 109.6(3) no
C8 Si2 C9 1_555 1_555 1_555 108.9(3) no
C8 Si2 C10 1_555 1_555 1_555 116.1(4) no
C9 Si2 C10 1_555 1_555 1_555 105.6(5) no
Cu1 O1 C1 1_555 1_555 1_555 122.5(2) no
Cu1 O2 C1 2_553 1_555 1_555 124.8(2) no
Cu1 O3 C6 1_555 1_555 1_555 125.9(2) no
Cu1 O4 C6 2_553 1_555 1_555 121.8(2) no
Cu1 N1 C11 1_555 1_555 1_555 137.0(8) no
Cu1 N1 C15 1_555 1_555 1_555 103.5(4) no
Cu1 N1 C17 1_555 1_555 1_555 133.8(6) no
Cu1 N1 C19 1_555 1_555 1_555 108.0(5) no
C11 N1 C15 1_555 1_555 1_555 118.7(8) no
C17 N1 C19 1_555 1_555 1_555 117.7(7) no
O1 C1 O2 1_555 1_555 1_555 125.4(3) yes
O1 C1 C2 1_555 1_555 1_555 117.3(3) no
O2 C1 C2 1_555 1_555 1_555 117.3(3) no
Si1 C2 C1 1_555 1_555 1_555 111.7(2) no
Si1 C2 H1 1_555 1_555 1_555 108.9(3) no
Si1 C2 H2 1_555 1_555 1_555 108.9(3) no
C1 C2 H1 1_555 1_555 1_555 108.9(3) no
C1 C2 H2 1_555 1_555 1_555 108.9(3) no
H1 C2 H2 1_555 1_555 1_555 109.4(4) no
Si1 C3 H3 1_555 1_555 1_555 109.0(10) no
Si1 C3 H4 1_555 1_555 1_555 109.0(10) no
Si1 C3 H5 1_555 1_555 1_555 108.0(10) no
H3 C3 H4 1_555 1_555 1_555 110.0(10) no
H3 C3 H5 1_555 1_555 1_555 108.0(10) no
H4 C3 H5 1_555 1_555 1_555 109.0(10) no
Si1 C4 H6 1_555 1_555 1_555 109.6(8) no
Si1 C4 H7 1_555 1_555 1_555 109.5(8) no
Si1 C4 H8 1_555 1_555 1_555 109.5(8) no
H6 C4 H7 1_555 1_555 1_555 109.0(10) no
H6 C4 H8 1_555 1_555 1_555 109.0(10) no
H7 C4 H8 1_555 1_555 1_555 109.0(10) no
Si1 C5 H9 1_555 1_555 1_555 109.2(10) no
Si1 C5 H10 1_555 1_555 1_555 109.9(9) no
Si1 C5 H11 1_555 1_555 1_555 109.2(9) no
H9 C5 H10 1_555 1_555 1_555 109.0(10) no
H9 C5 H11 1_555 1_555 1_555 108.0(10) no
H10 C5 H11 1_555 1_555 1_555 109.0(10) no
O3 C6 O4 1_555 1_555 1_555 124.8(3) yes
O3 C6 C7 1_555 1_555 1_555 116.8(3) no
O4 C6 C7 1_555 1_555 1_555 118.2(3) no
Si2 C7 C6 1_555 1_555 1_555 113.1(2) no
Si2 C7 H12 1_555 1_555 1_555 108.5(3) no
Si2 C7 H13 1_555 1_555 1_555 108.6(3) no
C6 C7 H12 1_555 1_555 1_555 108.5(4) no
C6 C7 H13 1_555 1_555 1_555 108.5(3) no
H12 C7 H13 1_555 1_555 1_555 109.5(4) no
Si2 C8 H14 1_555 1_555 1_555 109.7(5) no
Si2 C8 H15 1_555 1_555 1_555 109.5(5) no
Si2 C8 H16 1_555 1_555 1_555 109.5(5) no
H14 C8 H15 1_555 1_555 1_555 109.4(7) no
H14 C8 H16 1_555 1_555 1_555 109.5(7) no
H15 C8 H16 1_555 1_555 1_555 109.2(7) no
Si2 C9 H17 1_555 1_555 1_555 109.7(7) no
Si2 C9 H18 1_555 1_555 1_555 109.9(6) no
Si2 C9 H19 1_555 1_555 1_555 109.4(7) no
H17 C9 H18 1_555 1_555 1_555 109.7(9) no
H17 C9 H19 1_555 1_555 1_555 108.9(8) no
H18 C9 H19 1_555 1_555 1_555 109.2(9) no
Si2 C10 H20 1_555 1_555 1_555 109.3(6) no
Si2 C10 H21 1_555 1_555 1_555 109.5(5) no
Si2 C10 H22 1_555 1_555 1_555 109.5(6) no
H20 C10 H21 1_555 1_555 1_555 109.4(8) no
H20 C10 H22 1_555 1_555 1_555 109.4(7) no
H21 C10 H22 1_555 1_555 1_555 109.8(9) no
N1 C11 C12 1_555 1_555 1_555 128.0(10) no
N1 C11 C16 1_555 1_555 1_555 115.0(10) no
C12 C11 C16 1_555 1_555 1_555 115.0(10) no
C11 C12 C13 1_555 1_555 1_555 98.4(10) no
C11 C12 H23 1_555 1_555 1_555 130.0(10) no
C13 C12 C18 1_555 1_555 1_555 148.7(10) no
C13 C12 H23 1_555 1_555 1_555 131.0(10) no
C13 C12 H31 1_555 1_555 1_555 105.0(10) no
C18 C12 H31 1_555 1_555 1_555 105.0(10) no
C12 C13 C14 1_555 1_555 1_555 144.9(10) no
C12 C13 C17 1_555 1_555 1_555 98.3(9) no
C12 C13 H24 1_555 1_555 1_555 107.6(9) no
C12 C13 H30 1_555 1_555 1_555 130.9(9) no
C14 C13 H24 1_555 1_555 1_555 107.6(10) no
C17 C13 H30 1_555 1_555 1_555 130.8(10) no
C13 C14 C15 1_555 1_555 1_555 116.0(10) no
C13 C14 H25 1_555 1_555 1_555 121.7(10) no
C15 C14 H25 1_555 1_555 1_555 121.0(10) no
N1 C15 C14 1_555 1_555 1_555 112.0(10) no
N1 C15 H26 1_555 1_555 1_555 123.9(8) no
C14 C15 H26 1_555 1_555 1_555 123.0(10) no
C11 C16 H27 1_555 1_555 1_555 108.0(10) no
C11 C16 H28 1_555 1_555 1_555 109.0(10) no
C11 C16 H29 1_555 1_555 1_555 108.0(10) no
H27 C16 H28 1_555 1_555 1_555 110(2) no
H27 C16 H29 1_555 1_555 1_555 109.0(10) no
H28 C16 H29 1_555 1_555 1_555 110.0(10) no
N1 C17 C13 1_555 1_555 1_555 126.8(9) no
N1 C17 C20 1_555 1_555 1_555 119.4(9) no
C13 C17 C20 1_555 1_555 1_555 113.6(8) no
C12 C18 C19 1_555 1_555 1_555 106.0(10) no
C12 C18 H32 1_555 1_555 1_555 127.0(10) no
C19 C18 H32 1_555 1_555 1_555 126.0(10) no
N1 C19 C18 1_555 1_555 1_555 121.0(10) no
N1 C19 H33 1_555 1_555 1_555 118.0(10) no
C18 C19 H33 1_555 1_555 1_555 119.0(10) no
C17 C20 H34 1_555 1_555 1_555 109.0(10) no
C17 C20 H35 1_555 1_555 1_555 109.0(10) no
C17 C20 H36 1_555 1_555 1_555 109.0(10) no
H34 C20 H35 1_555 1_555 1_555 109.0(10) no
H34 C20 H36 1_555 1_555 1_555 109.0(10) no
H35 C20 H36 1_555 1_555 1_555 109.0(10) no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 Cu1 1_555 2_553 2.6640(10) yes
Cu1 O1 1_555 1_555 1.977(2) yes
Cu1 O2 1_555 2_553 1.960(2) yes
Cu1 O3 1_555 1_555 1.953(2) yes
Cu1 O4 1_555 2_553 1.965(2) yes
Cu1 N1 1_555 1_555 2.244(3) yes
Si1 C2 1_555 1_555 1.876(4) no
Si1 C3 1_555 1_555 1.740(10) no
Si1 C4 1_555 1_555 1.816(7) no
Si1 C5 1_555 1_555 1.783(10) no
Si2 C7 1_555 1_555 1.873(4) no
Si2 C8 1_555 1_555 1.835(5) no
Si2 C9 1_555 1_555 1.816(8) no
Si2 C10 1_555 1_555 1.861(7) no
O1 C1 1_555 1_555 1.243(4) yes
O2 C1 1_555 1_555 1.261(4) yes
O3 C6 1_555 1_555 1.264(4) yes
O4 C6 1_555 1_555 1.254(4) yes
N1 C11 1_555 1_555 1.200(10) no
N1 C15 1_555 1_555 1.60(2) no
N1 C17 1_555 1_555 1.263(10) no
N1 C19 1_555 1_555 1.47(2) no
C1 C2 1_555 1_555 1.507(4) no
C2 H1 1_555 1_555 .960 no
C2 H2 1_555 1_555 .960 no
C3 H3 1_555 1_555 .961 no
C3 H4 1_555 1_555 .950 no
C3 H5 1_555 1_555 .967 no
C4 H6 1_555 1_555 .958 no
C4 H7 1_555 1_555 .961 no
C4 H8 1_555 1_555 .962 no
C5 H9 1_555 1_555 .965 no
C5 H10 1_555 1_555 .951 no
C5 H11 1_555 1_555 .964 no
C6 C7 1_555 1_555 1.482(4) no
C7 H12 1_555 1_555 .960 no
C7 H13 1_555 1_555 .960 no
C8 H14 1_555 1_555 .958 no
C8 H15 1_555 1_555 .962 no
C8 H16 1_555 1_555 .961 no
C9 H17 1_555 1_555 .960 no
C9 H18 1_555 1_555 .957 no
C9 H19 1_555 1_555 .967 no
C10 H20 1_555 1_555 .963 no
C10 H21 1_555 1_555 .958 no
C10 H22 1_555 1_555 .958 no
C11 C12 1_555 1_555 1.630(10) no
C11 C16 1_555 1_555 1.43(2) no
C12 C13 1_555 1_555 1.240(10) no
C12 C18 1_555 1_555 1.37(2) no
C12 H23 1_555 1_555 .962 no
C12 H31 1_555 1_555 .961 no
C13 C14 1_555 1_555 1.31(2) no
C13 C17 1_555 1_555 1.620(10) no
C13 H24 1_555 1_555 .959 no
C13 H30 1_555 1_555 .960 no
C14 C15 1_555 1_555 1.370(10) no
C14 H25 1_555 1_555 .962 no
C15 H26 1_555 1_555 .961 no
C16 H27 1_555 1_555 .958 no
C16 H28 1_555 1_555 .949 no
C16 H29 1_555 1_555 .961 no
C17 C20 1_555 1_555 1.46(2) no
C18 C19 1_555 1_555 1.400(10) no
C18 H32 1_555 1_555 .964 no
C19 H33 1_555 1_555 .962 no
C20 H34 1_555 1_555 .957 no
C20 H35 1_555 1_555 .960 no
C20 H36 1_555 1_555 .963 no
