#------------------------------------------------------------------------------
#$Date: 2016-03-21 03:54:20 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178449 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/70/4027098.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_4027098
loop_
_publ_author_name
'Benito Alcaide'
'Pedro Almendros'
'Amparo Luna'
'Gonzalo Gómez-Campillos'
'M. Rosario Torres'
_publ_section_title
;
 Ring Enlargement versus Selenoetherification on the Reaction of Allenyl
 Oxindoles with Selenenylating Reagents
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3549
_journal_page_last               3556
_journal_paper_doi               10.1021/jo202495z
_journal_volume                  77
_journal_year                    2012
_chemical_formula_sum            'C19 H17 N O2 Se'
_chemical_formula_weight         370.30
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.886(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.360(2)
_cell_length_b                   12.862(3)
_cell_length_c                   22.211(4)
_cell_measurement_reflns_used    2558
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      20.22
_cell_measurement_theta_min      2.33
_cell_volume                     3412.5(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0976
_diffrn_reflns_av_sigmaI/netI    0.1072
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            27248
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    2.209
_exptl_absorpt_correction_T_max  0.8260
_exptl_absorpt_correction_T_min  0.7052
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1504
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.747
_refine_diff_density_min         -0.588
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         6688
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.1980
_refine_ls_R_factor_gt           0.0609
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0831P)²+8.3826P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1495
_refine_ls_wR_factor_ref         0.2423
_reflns_number_gt                2394
_reflns_number_total             6688
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo202495z_si_003.cif
_cod_data_source_block           al-gcfc
_cod_original_cell_volume        3412.6(11)
_cod_database_code               4027098
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Se Se 0.26445(10) 0.95629(7) 0.01280(4) 0.0877(4) Uani 1 1 d .
Se' Se 0.24729(9) 0.31917(7) 0.97725(5) 0.0878(4) Uani 1 1 d .
N1' N 0.1677(7) 0.3705(8) 0.7903(3) 0.080(2) Uani 1 1 d .
N1 N 0.3039(8) 0.9397(10) 0.1945(4) 0.096(3) Uani 1 1 d .
O1' O 0.1542(9) 0.5460(7) 0.7711(4) 0.159(4) Uani 1 1 d .
O1 O 0.2904(9) 0.7711(9) 0.2245(4) 0.171(5) Uani 1 1 d .
C2' C 0.1279(10) 0.4666(10) 0.7947(4) 0.091(3) Uani 1 1 d .
C2 C 0.3334(10) 0.8384(12) 0.2010(5) 0.093(3) Uani 1 1 d .
O2' O -0.0292(7) 0.5425(5) 0.8211(4) 0.133(3) Uani 1 1 d .
O2 O 0.4906(7) 0.7388(5) 0.1938(3) 0.131(3) Uani 1 1 d .
C3' C 0.0413(9) 0.4753(7) 0.8327(5) 0.085(3) Uani 1 1 d .
C3 C 0.4313(10) 0.8085(7) 0.1726(4) 0.081(3) Uani 1 1 d .
C4' C 0.0533(7) 0.4015(7) 0.8858(4) 0.066(2) Uani 1 1 d .
C4 C 0.4370(8) 0.8724(6) 0.1158(4) 0.066(2) Uani 1 1 d .
C5' C 0.0667(7) 0.2943(6) 0.8592(4) 0.060(2) Uani 1 1 d .
C5 C 0.4340(8) 0.9853(6) 0.1357(4) 0.066(3) Uani 1 1 d .
C6' C 0.0257(9) 0.2048(8) 0.8815(5) 0.089(3) Uani 1 1 d .
H6' H -0.0151 0.2114 0.9111 0.106 Uiso 1 1 calc R
C6 C 0.4939(10) 1.0621(9) 0.1152(5) 0.115(4) Uani 1 1 d .
H6 H 0.5403 1.0448 0.0897 0.138 Uiso 1 1 calc R
C7' C 0.0437(13) 0.1093(9) 0.8611(6) 0.121(5) Uani 1 1 d .
H7' H 0.0150 0.0514 0.8768 0.145 Uiso 1 1 calc R
C7 C 0.4856(18) 1.1631(12) 0.1320(10) 0.195(13) Uani 1 1 d .
H7 H 0.5279 1.2135 0.1185 0.235 Uiso 1 1 calc R
C8 C 0.419(2) 1.1908(15) 0.1668(13) 0.24(2) Uani 1 1 d .
H8 H 0.4125 1.2607 0.1760 0.289 Uiso 1 1 calc R
C8' C 0.1029(13) 0.0963(9) 0.8181(7) 0.130(6) Uani 1 1 d .
H8' H 0.1148 0.0298 0.8047 0.156 Uiso 1 1 calc R
C9' C 0.1461(9) 0.1825(10) 0.7940(5) 0.102(4) Uani 1 1 d .
H9' H 0.1877 0.1742 0.7649 0.122 Uiso 1 1 calc R
C9 C 0.3609(13) 1.1177(11) 0.1896(6) 0.140(7) Uani 1 1 d .
H9 H 0.3168 1.1372 0.2159 0.168 Uiso 1 1 calc R
C10' C 0.1252(8) 0.2835(7) 0.8149(4) 0.067(3) Uani 1 1 d .
C10 C 0.3671(10) 1.0119(9) 0.1732(5) 0.084(3) Uani 1 1 d .
C11' C 0.1611(7) 0.4339(6) 0.9341(4) 0.065(2) Uani 1 1 d .
C11 C 0.3312(8) 0.8424(7) 0.0649(3) 0.068(3) Uani 1 1 d .
C12 C 0.2944(9) 0.7471(6) 0.0556(4) 0.098(4) Uani 1 1 d .
H12A H 0.3325 0.6935 0.0804 0.118 Uiso 1 1 calc R
H12B H 0.2301 0.7327 0.0243 0.118 Uiso 1 1 calc R
C12' C 0.1885(9) 0.5315(6) 0.9466(4) 0.090(3) Uani 1 1 d .
H12C H 0.1420 0.5842 0.9259 0.108 Uiso 1 1 calc R
H12D H 0.2544 0.5480 0.9761 0.108 Uiso 1 1 calc R
C13' C 0.2488(10) 0.3587(11) 0.7525(5) 0.144(5) Uani 1 1 d .
H13A H 0.2684 0.4261 0.7399 0.215 Uiso 1 1 calc R
H13B H 0.2161 0.3178 0.7163 0.215 Uiso 1 1 calc R
H13C H 0.3148 0.3246 0.7767 0.215 Uiso 1 1 calc R
C13 C 0.2152(11) 0.9714(15) 0.2239(7) 0.217(10) Uani 1 1 d .
H13D H 0.2465 1.0154 0.2590 0.325 Uiso 1 1 calc R
H13E H 0.1830 0.9108 0.2377 0.325 Uiso 1 1 calc R
H13F H 0.1582 1.0087 0.1943 0.325 Uiso 1 1 calc R
C14 C 0.5413(9) 0.8434(10) 0.0954(5) 0.122(4) Uani 1 1 d .
H14A H 0.6065 0.8594 0.1283 0.184 Uiso 1 1 calc R
H14B H 0.5433 0.8821 0.0588 0.184 Uiso 1 1 calc R
H14C H 0.5401 0.7704 0.0864 0.184 Uiso 1 1 calc R
C14' C -0.0447(9) 0.4090(10) 0.9158(6) 0.127(5) Uani 1 1 d .
H14D H -0.0544 0.4800 0.9266 0.190 Uiso 1 1 calc R
H14E H -0.0295 0.3669 0.9527 0.190 Uiso 1 1 calc R
H14F H -0.1117 0.3848 0.8869 0.190 Uiso 1 1 calc R
C15 C 0.1493(10) 0.8832(6) -0.0446(4) 0.069(3) Uani 1 1 d .
C15' C 0.3465(9) 0.3912(7) 1.0430(4) 0.068(2) Uani 1 1 d .
C16 C 0.1660(9) 0.8379(7) -0.0974(4) 0.078(3) Uani 1 1 d .
H16 H 0.2365 0.8406 -0.1050 0.094 Uiso 1 1 calc R
C16' C 0.3118(11) 0.4356(9) 1.0907(5) 0.109(4) Uani 1 1 d .
H16' H 0.2366 0.4314 1.0905 0.131 Uiso 1 1 calc R
C17 C 0.0795(11) 0.7883(7) -0.1395(4) 0.084(3) Uani 1 1 d .
H17 H 0.0927 0.7571 -0.1747 0.101 Uiso 1 1 calc R
C17' C 0.3851(18) 0.4868(14) 1.1396(8) 0.149(8) Uani 1 1 d .
H17' H 0.3607 0.5169 1.1719 0.179 Uiso 1 1 calc R
C18 C -0.0232(11) 0.7845(8) -0.1302(5) 0.091(3) Uani 1 1 d .
H18 H -0.0814 0.7528 -0.1594 0.109 Uiso 1 1 calc R
C18' C 0.489(2) 0.4904(13) 1.1381(9) 0.153(9) Uani 1 1 d .
H18' H 0.5384 0.5242 1.1709 0.184 Uiso 1 1 calc R
C19 C -0.0421(9) 0.8271(8) -0.0778(6) 0.094(3) Uani 1 1 d .
H19 H -0.1134 0.8247 -0.0711 0.113 Uiso 1 1 calc R
C19' C 0.5302(13) 0.4504(13) 1.0942(8) 0.140(6) Uani 1 1 d .
H19' H 0.6062 0.4554 1.0965 0.168 Uiso 1 1 calc R
C20 C 0.0440(11) 0.8739(7) -0.0348(4) 0.084(3) Uani 1 1 d .
H20 H 0.0310 0.8998 0.0018 0.101 Uiso 1 1 calc R
C20' C 0.4565(11) 0.3998(8) 1.0438(5) 0.096(3) Uani 1 1 d .
H20' H 0.4828 0.3726 1.0114 0.115 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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
C15 Se C11 99.1(3)
C15' Se' C11' 100.1(4)
C2' N1' C10' 121.6(9)
C2' N1' C13' 116.9(10)
C10' N1' C13' 121.1(10)
C10 N1 C2 121.8(11)
C10 N1 C13 121.3(13)
C2 N1 C13 115.6(14)
O1' C2' N1' 126.3(13)
O1' C2' C3' 118.3(13)
N1' C2' C3' 115.4(9)
O1 C2 N1 127.0(15)
O1 C2 C3 118.4(14)
N1 C2 C3 114.5(10)
O2' C3' C4' 123.0(12)
O2' C3' C2' 120.3(11)
C4' C3' C2' 116.7(8)
O2 C3 C4 125.8(12)
O2 C3 C2 119.9(11)
C4 C3 C2 114.2(8)
C3' C4' C11' 105.8(7)
C3' C4' C5' 105.5(7)
C11' C4' C5' 110.8(7)
C3' C4' C14' 112.0(9)
C11' C4' C14' 108.7(8)
C5' C4' C14' 113.8(8)
C3 C4 C14 109.7(9)
C3 C4 C5 105.3(7)
C14 C4 C5 114.1(9)
C3 C4 C11 105.2(7)
C14 C4 C11 110.2(7)
C5 C4 C11 111.9(7)
C10' C5' C6' 118.5(9)
C10' C5' C4' 120.0(8)
C6' C5' C4' 121.4(9)
C10 C5 C6 119.0(11)
C10 C5 C4 118.9(9)
C6 C5 C4 122.0(11)
C7' C6' C5' 121.6(11)
C7' C6' H6' 119.2
C5' C6' H6' 119.2
C5 C6 C7 120.4(16)
C5 C6 H6 119.8
C7 C6 H6 119.8
C8' C7' C6' 121.1(13)
C8' C7' H7' 119.5
C6' C7' H7' 119.5
C8 C7 C6 122(2)
C8 C7 H7 119.2
C6 C7 H7 119.2
C7 C8 C9 120.2(19)
C7 C8 H8 119.9
C9 C8 H8 119.9
C7' C8' C9' 120.1(12)
C7' C8' H8' 120.0
C9' C8' H8' 120.0
C8' C9' C10' 118.7(12)
C8' C9' H9' 120.7
C10' C9' H9' 120.7
C8 C9 C10 120.0(19)
C8 C9 H9 120.0
C10 C9 H9 120.0
C5' C10' N1' 121.2(8)
C5' C10' C9' 120.0(10)
N1' C10' C9' 118.8(10)
C5 C10 N1 122.0(10)
C5 C10 C9 118.8(14)
N1 C10 C9 119.2(14)
C12' C11' C4' 122.5(8)
C12' C11' Se' 123.3(7)
C4' C11' Se' 114.1(6)
C12 C11 C4 123.1(8)
C12 C11 Se 123.0(7)
C4 C11 Se 113.8(6)
C11 C12 H12A 120.0
C11 C12 H12B 120.0
H12A C12 H12B 120.0
C11' C12' H12C 120.0
C11' C12' H12D 120.0
H12C C12' H12D 120.0
N1' C13' H13A 109.5
N1' C13' H13B 109.5
H13A C13' H13B 109.5
N1' C13' H13C 109.5
H13A C13' H13C 109.5
H13B C13' H13C 109.5
N1 C13 H13D 109.5
N1 C13 H13E 109.5
H13D C13 H13E 109.5
N1 C13 H13F 109.5
H13D C13 H13F 109.5
H13E C13 H13F 109.5
C4 C14 H14A 109.5
C4 C14 H14B 109.5
H14A C14 H14B 109.5
C4 C14 H14C 109.5
H14A C14 H14C 109.5
H14B C14 H14C 109.5
C4' C14' H14D 109.5
C4' C14' H14E 109.5
H14D C14' H14E 109.5
C4' C14' H14F 109.5
H14D C14' H14F 109.5
H14E C14' H14F 109.5
C20 C15 C16 117.0(9)
C20 C15 Se 120.8(8)
C16 C15 Se 122.2(9)
C20' C15' C16' 117.9(10)
C20' C15' Se' 119.8(8)
C16' C15' Se' 122.3(10)
C17 C16 C15 120.9(10)
C17 C16 H16 119.5
C15 C16 H16 119.5
C15' C16' C17' 122.2(14)
C15' C16' H16' 118.9
C17' C16' H16' 118.9
C18 C17 C16 120.8(10)
C18 C17 H17 119.6
C16 C17 H17 119.6
C18' C17' C16' 116.7(19)
C18' C17' H17' 121.6
C16' C17' H17' 121.6
C17 C18 C19 119.8(11)
C17 C18 H18 120.1
C19 C18 H18 120.1
C17' C18' C19' 126(2)
C17' C18' H18' 117.2
C19' C18' H18' 117.2
C20 C19 C18 119.9(11)
C20 C19 H19 120.0
C18 C19 H19 120.0
C18' C19' C20' 118.3(17)
C18' C19' H19' 120.9
C20' C19' H19' 120.9
C15 C20 C19 121.5(10)
C15 C20 H20 119.3
C19 C20 H20 119.3
C15' C20' C19' 119.2(12)
C15' C20' H20' 120.4
C19' C20' H20' 120.4
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Se C15 1.897(9)
Se C11 1.917(8)
Se' C15' 1.890(9)
Se' C11' 1.925(8)
N1' C2' 1.343(13)
N1' C10' 1.405(12)
N1' C13' 1.471(13)
N1 C10 1.374(14)
N1 C2 1.351(14)
N1 C13 1.471(15)
O1' C2' 1.229(11)
O1 C2 1.203(12)
C2' C3' 1.529(15)
C2 C3 1.549(16)
O2' C3' 1.208(10)
O2 C3 1.176(10)
C3' C4' 1.491(13)
C3 C4 1.524(12)
C4' C11' 1.538(11)
C4' C5' 1.526(11)
C4' C14' 1.527(12)
C4 C14 1.518(12)
C4 C5 1.522(11)
C4 C11 1.542(11)
C5' C10' 1.369(12)
C5' C6' 1.400(12)
C5 C10 1.358(14)
C5 C6 1.381(13)
C6' C7' 1.347(15)
C6' H6' 0.9300
C6 C7 1.36(2)
C6 H6 0.9300
C7' C8' 1.353(18)
C7' H7' 0.9300
C7 C8 1.31(4)
C7 H7 0.9300
C8 C9 1.36(3)
C8 H8 0.9300
C8' C9' 1.397(17)
C8' H8' 0.9300
C9' C10' 1.425(13)
C9' H9' 0.9300
C9 C10 1.416(15)
C9 H9 0.9300
C11' C12' 1.310(11)
C11 C12 1.305(11)
C12 H12A 0.9300
C12 H12B 0.9300
C12' H12C 0.9300
C12' H12D 0.9300
C13' H13A 0.9600
C13' H13B 0.9600
C13' H13C 0.9600
C13 H13D 0.9600
C13 H13E 0.9600
C13 H13F 0.9600
C14 H14A 0.9600
C14 H14B 0.9600
C14 H14C 0.9600
C14' H14D 0.9600
C14' H14E 0.9600
C14' H14F 0.9600
C15 C20 1.380(13)
C15 C16 1.373(12)
C15' C20' 1.360(13)
C15' C16' 1.367(13)
C16 C17 1.383(13)
C16 H16 0.9300
C16' C17' 1.388(19)
C16' H16' 0.9300
C17 C18 1.338(14)
C17 H17 0.9300
C17' C18' 1.29(2)
C17' H17' 0.9300
C18 C19 1.360(14)
C18 H18 0.9300
C18' C19' 1.32(2)
C18' H18' 0.9300
C19 C20 1.373(13)
C19 H19 0.9300
C19' C20' 1.409(16)
C19' H19' 0.9300
C20 H20 0.9300
C20' H20' 0.9300
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
C10' N1' C2' O1' -174.7(9)
C13' N1' C2' O1' -1.3(15)
C10' N1' C2' C3' 4.8(12)
C13' N1' C2' C3' 178.3(8)
C10 N1 C2 O1 172.5(10)
C13 N1 C2 O1 5.1(16)
C10 N1 C2 C3 -9.5(13)
C13 N1 C2 C3 -176.8(9)
O1' C2' C3' O2' 28.3(14)
N1' C2' C3' O2' -151.3(9)
O1' C2' C3' C4' -148.3(9)
N1' C2' C3' C4' 32.1(12)
O1 C2 C3 O2 -30.1(14)
N1 C2 C3 O2 151.7(9)
O1 C2 C3 C4 147.0(9)
N1 C2 C3 C4 -31.2(11)
O2' C3' C4' C11' -108.4(10)
C2' C3' C4' C11' 68.1(9)
O2' C3' C4' C5' 134.1(9)
C2' C3' C4' C5' -49.4(10)
O2' C3' C4' C14' 9.9(13)
C2' C3' C4' C14' -173.6(8)
O2 C3 C4 C14 -8.1(13)
C2 C3 C4 C14 175.0(8)
O2 C3 C4 C5 -131.3(9)
C2 C3 C4 C5 51.8(10)
O2 C3 C4 C11 110.4(10)
C2 C3 C4 C11 -66.5(9)
C3' C4' C5' C10' 36.2(11)
C11' C4' C5' C10' -77.7(9)
C14' C4' C5' C10' 159.4(8)
C3' C4' C5' C6' -147.4(9)
C11' C4' C5' C6' 98.6(10)
C14' C4' C5' C6' -24.2(12)
C3 C4 C5 C10 -38.2(11)
C14 C4 C5 C10 -158.5(8)
C11 C4 C5 C10 75.5(10)
C3 C4 C5 C6 144.2(9)
C14 C4 C5 C6 23.9(12)
C11 C4 C5 C6 -102.1(10)
C10' C5' C6' C7' 0.9(14)
C4' C5' C6' C7' -175.5(10)
C10 C5 C6 C7 -0.3(15)
C4 C5 C6 C7 177.3(11)
C5' C6' C7' C8' 0.2(18)
C5 C6 C7 C8 -1(3)
C6 C7 C8 C9 3(4)
C6' C7' C8' C9' 0(2)
C7' C8' C9' C10' -0.8(18)
C7 C8 C9 C10 -3(3)
C6' C5' C10' N1' 179.4(8)
C4' C5' C10' N1' -4.1(12)
C6' C5' C10' C9' -2.0(12)
C4' C5' C10' C9' 174.5(8)
C2' N1' C10' C5' -19.2(12)
C13' N1' C10' C5' 167.7(8)
C2' N1' C10' C9' 162.2(9)
C13' N1' C10' C9' -11.0(12)
C8' C9' C10' C5' 2.0(14)
C8' C9' C10' N1' -179.4(9)
C6 C5 C10 N1 179.0(9)
C4 C5 C10 N1 1.3(13)
C6 C5 C10 C9 0.3(13)
C4 C5 C10 C9 -177.4(8)
C2 N1 C10 C5 26.1(14)
C13 N1 C10 C5 -167.3(10)
C2 N1 C10 C9 -155.2(10)
C13 N1 C10 C9 11.4(15)
C8 C9 C10 C5 1(2)
C8 C9 C10 N1 -177.4(15)
C3' C4' C11' C12' 40.2(12)
C5' C4' C11' C12' 153.9(9)
C14' C4' C11' C12' -80.3(12)
C3' C4' C11' Se' -142.9(7)
C5' C4' C11' Se' -29.1(9)
C14' C4' C11' Se' 96.6(8)
C15' Se' C11' C12' 10.4(9)
C15' Se' C11' C4' -166.5(7)
C3 C4 C11 C12 -41.3(12)
C14 C4 C11 C12 76.9(12)
C5 C4 C11 C12 -155.0(10)
C3 C4 C11 Se 142.7(7)
C14 C4 C11 Se -99.1(8)
C5 C4 C11 Se 28.9(10)
C15 Se C11 C12 -0.4(10)
C15 Se C11 C4 175.6(7)
C11 Se C15 C20 92.3(8)
C11 Se C15 C16 -88.0(7)
C11' Se' C15' C20' -109.2(8)
C11' Se' C15' C16' 71.0(8)
C20 C15 C16 C17 2.0(13)
Se C15 C16 C17 -177.7(7)
C20' C15' C16' C17' -1.1(16)
Se' C15' C16' C17' 178.7(10)
C15 C16 C17 C18 0.9(15)
C15' C16' C17' C18' 0(2)
C16 C17 C18 C19 -2.0(16)
C16' C17' C18' C19' 0(3)
C17 C18 C19 C20 0.0(16)
C17' C18' C19' C20' 1(3)
C16 C15 C20 C19 -4.0(14)
Se C15 C20 C19 175.7(7)
C18 C19 C20 C15 3.1(15)
C16' C15' C20' C19' 2.1(15)
Se' C15' C20' C19' -177.7(8)
C18' C19' C20' C15' -2(2)
