#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:46:54 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180315 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/29/7152909.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_7152909
loop_
_publ_author_name
'Harris, Benjamin'
'Savage, G. Paul'
'White, Jonathan M.'
_publ_section_title
;
 Hyperconjugation involving strained carbon-carbon bonds. Application of
 the variable oxygen probe to ester and ether derivatives of
 cubylmethanol.
;
_journal_issue                   19
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              3151
_journal_page_last               3158
_journal_paper_doi               10.1039/c3ob40288f
_journal_volume                  11
_journal_year                    2013
_chemical_formula_sum            'C11 H12 O3'
_chemical_formula_weight         192.21
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 91.859(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   8.6179(3)
_cell_length_b                   7.0392(3)
_cell_length_c                   30.2576(10)
_cell_measurement_reflns_used    3867
_cell_measurement_temperature    130.0(2)
_cell_measurement_theta_max      72.9175
_cell_measurement_theta_min      2.9200
_cell_volume                     1834.55(12)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      130.0(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0216
_diffrn_reflns_av_sigmaI/netI    0.0244
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            7121
_diffrn_reflns_theta_full        73.07
_diffrn_reflns_theta_max         73.07
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    0.832
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.93211
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.4035
_exptl_crystal_size_mid          0.2470
_exptl_crystal_size_min          0.1040
_refine_diff_density_max         0.365
_refine_diff_density_min         -0.320
_refine_diff_density_rms         0.065
_refine_ls_extinction_coef       0.0020(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         3586
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0444
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0969P)²+0.1601P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1315
_refine_ls_wR_factor_ref         0.1491
_reflns_number_gt                2989
_reflns_number_total             3586
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ob40288f.txt
_cod_data_source_block           shelxl11a
_cod_database_code               7152909
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
H1 H 0.420(3) 0.810(3) 0.2221(7) 0.039(6) Uiso 1 1 d .
H' H 0.369(2) 0.085(3) 0.2578(7) 0.038(6) Uiso 1 1 d .
O1 O 0.33589(12) 0.86814(15) 0.22204(4) 0.0217(3) Uani 1 1 d .
O2 O 0.13007(19) 0.36096(18) 0.03692(4) 0.0411(4) Uani 1 1 d .
C7 C 0.29817(17) 0.5427(2) 0.11927(5) 0.0196(3) Uani 1 1 d .
H7 H 0.3778 0.5766 0.0983 0.024 Uiso 1 1 calc R
O3 O 0.16935(18) 0.08603(18) 0.07213(4) 0.0385(4) Uani 1 1 d .
C9 C 0.20867(16) 0.7388(2) 0.22352(5) 0.0188(3) Uani 1 1 d .
H9A H 0.1128 0.8102 0.2252 0.023 Uiso 1 1 calc R
H9B H 0.2196 0.6620 0.2501 0.023 Uiso 1 1 calc R
C6 C 0.33094(17) 0.4735(2) 0.16791(5) 0.0186(3) Uani 1 1 d .
H6 H 0.4341 0.4592 0.1821 0.022 Uiso 1 1 calc R
C3 C 0.04455(17) 0.5157(2) 0.12844(5) 0.0193(3) Uani 1 1 d .
H3 H -0.0585 0.5302 0.1142 0.023 Uiso 1 1 calc R
C4 C 0.17598(17) 0.3779(2) 0.11267(5) 0.0193(3) Uani 1 1 d .
C1 C 0.19916(16) 0.6109(2) 0.18401(5) 0.0170(3) Uani 1 1 d .
C2 C 0.07742(16) 0.4470(2) 0.17703(4) 0.0168(3) Uani 1 1 d .
H2 H -0.0024 0.4129 0.1980 0.020 Uiso 1 1 calc R
C5 C 0.20863(16) 0.3100(2) 0.16123(5) 0.0180(3) Uani 1 1 d .
H5 H 0.2231 0.1777 0.1706 0.022 Uiso 1 1 calc R
C8 C 0.16795(17) 0.6784(2) 0.13511(5) 0.0194(3) Uani 1 1 d .
H8 H 0.1537 0.8106 0.1257 0.023 Uiso 1 1 calc R
C10 C 0.15949(17) 0.2559(2) 0.07283(5) 0.0207(3) Uani 1 1 d .
C11 C 0.1124(3) 0.2597(3) -0.00460(5) 0.0411(5) Uani 1 1 d .
H11A H 0.0915 0.3486 -0.0281 0.062 Uiso 1 1 calc R
H11B H 0.0276 0.1717 -0.0030 0.062 Uiso 1 1 calc R
H11C H 0.2062 0.1916 -0.0102 0.062 Uiso 1 1 calc R
O1' O 0.38603(12) 0.17805(16) 0.27448(4) 0.0251(3) Uani 1 1 d .
C5' C 0.27072(17) 0.6995(2) 0.34767(5) 0.0185(3) Uani 1 1 d .
H5' H 0.2512 0.8319 0.3392 0.022 Uiso 1 1 calc R
C9' C 0.24532(16) 0.2712(2) 0.28513(5) 0.0184(3) Uani 1 1 d .
H9D H 0.1675 0.1778 0.2924 0.022 Uiso 1 1 calc R
H9C H 0.2065 0.3440 0.2599 0.022 Uiso 1 1 calc R
O5 O 0.36429(18) 0.64536(17) 0.47087(4) 0.0381(4) Uani 1 1 d .
C4' C 0.31838(17) 0.6295(2) 0.39512(5) 0.0192(3) Uani 1 1 d .
C6' C 0.39703(16) 0.5671(2) 0.32764(5) 0.0175(3) Uani 1 1 d .
H6' H 0.4685 0.6042 0.3046 0.021 Uiso 1 1 calc R
C2' C 0.14865(16) 0.5330(2) 0.34383(5) 0.0188(3) Uani 1 1 d .
H2' H 0.0413 0.5458 0.3325 0.023 Uiso 1 1 calc R
C7' C 0.44674(17) 0.4968(2) 0.37502(5) 0.0199(3) Uani 1 1 d .
H7' H 0.5540 0.4843 0.3864 0.024 Uiso 1 1 calc R
O6 O 0.34893(19) 0.92132(18) 0.43473(4) 0.0431(4) Uani 1 1 d .
C3' C 0.19855(17) 0.4624(2) 0.39119(5) 0.0212(3) Uani 1 1 d .
H3' H 0.1272 0.4247 0.4142 0.025 Uiso 1 1 calc R
C1' C 0.27519(16) 0.4003(2) 0.32361(5) 0.0170(3) Uani 1 1 d .
C10' C 0.34475(17) 0.7510(2) 0.43466(5) 0.0215(3) Uani 1 1 d .
C8' C 0.32522(17) 0.3313(2) 0.37124(5) 0.0199(3) Uani 1 1 d .
H8' H 0.3450 0.1990 0.3798 0.024 Uiso 1 1 calc R
C11' C 0.3910(3) 0.7463(3) 0.51208(5) 0.0391(5) Uani 1 1 d .
H11E H 0.4037 0.6567 0.5358 0.059 Uiso 1 1 calc R
H11F H 0.3038 0.8271 0.5175 0.059 Uiso 1 1 calc R
H11D H 0.4831 0.8222 0.5103 0.059 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 0.0181 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'
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
C9 O1 H1 110.8(15)
C10 O2 C11 116.51(13)
C8 C7 C6 90.65(10)
C8 C7 C4 90.30(11)
C6 C7 C4 89.39(11)
C8 C7 H7 125.2
C6 C7 H7 125.2
C4 C7 H7 125.2
O1 C9 C1 112.39(11)
O1 C9 H9A 109.1
C1 C9 H9A 109.1
O1 C9 H9B 109.1
C1 C9 H9B 109.1
H9A C9 H9B 107.9
C7 C6 C5 90.42(10)
C7 C6 C1 89.41(10)
C5 C6 C1 90.13(10)
C7 C6 H6 125.3
C5 C6 H6 125.3
C1 C6 H6 125.3
C2 C3 C8 90.19(10)
C2 C3 C4 89.11(10)
C8 C3 C4 89.85(11)
C2 C3 H3 125.5
C8 C3 H3 125.5
C4 C3 H3 125.5
C10 C4 C5 126.64(13)
C10 C4 C7 125.14(12)
C5 C4 C7 90.39(10)
C10 C4 C3 123.46(12)
C5 C4 C3 90.73(11)
C7 C4 C3 89.57(11)
C9 C1 C8 125.08(12)
C9 C1 C2 124.67(12)
C8 C1 C2 90.12(10)
C9 C1 C6 126.37(12)
C8 C1 C6 89.86(10)
C2 C1 C6 89.55(10)
C3 C2 C1 89.95(10)
C3 C2 C5 90.80(10)
C1 C2 C5 90.44(10)
C3 C2 H2 125.0
C1 C2 H2 125.0
C5 C2 H2 125.0
C4 C5 C6 89.80(10)
C4 C5 C2 89.36(10)
C6 C5 C2 89.87(10)
C4 C5 H5 125.5
C6 C5 H5 125.5
C2 C5 H5 125.5
C7 C8 C1 90.09(10)
C7 C8 C3 90.28(11)
C1 C8 C3 89.72(10)
C7 C8 H8 125.2
C1 C8 H8 125.2
C3 C8 H8 125.2
O3 C10 O2 123.44(14)
O3 C10 C4 125.94(14)
O2 C10 C4 110.62(13)
O2 C11 H11A 109.5
O2 C11 H11B 109.5
H11A C11 H11B 109.5
O2 C11 H11C 109.5
H11A C11 H11C 109.5
H11B C11 H11C 109.5
C9' O1' H' 111.1(15)
C4' C5' C6' 90.16(10)
C4' C5' C2' 89.32(10)
C6' C5' C2' 89.98(10)
C4' C5' H5' 125.4
C6' C5' H5' 125.4
C2' C5' H5' 125.4
O1' C9' C1' 109.28(11)
O1' C9' H9D 109.8
C1' C9' H9D 109.8
O1' C9' H9C 109.8
C1' C9' H9C 109.8
H9D C9' H9C 108.3
C10' O5 C11' 116.56(13)
C10' C4' C5' 126.11(13)
C10' C4' C3' 125.31(12)
C5' C4' C3' 90.80(11)
C10' C4' C7' 124.03(12)
C5' C4' C7' 89.94(10)
C3' C4' C7' 89.70(11)
C7' C6' C5' 90.38(10)
C7' C6' C1' 89.83(10)
C5' C6' C1' 90.20(10)
C7' C6' H6' 125.2
C5' C6' H6' 125.2
C1' C6' H6' 125.2
C3' C2' C1' 89.67(10)
C3' C2' C5' 90.33(10)
C1' C2' C5' 90.04(10)
C3' C2' H2' 125.3
C1' C2' H2' 125.3
C5' C2' H2' 125.3
C6' C7' C8' 90.33(10)
C6' C7' C4' 89.51(10)
C8' C7' C4' 89.60(11)
C6' C7' H7' 125.4
C8' C7' H7' 125.4
C4' C7' H7' 125.4
C2' C3' C8' 90.48(10)
C2' C3' C4' 89.55(11)
C8' C3' C4' 90.32(11)
C2' C3' H3' 125.2
C8' C3' H3' 125.2
C4' C3' H3' 125.2
C9' C1' C8' 124.32(12)
C9' C1' C2' 124.06(11)
C8' C1' C2' 89.99(10)
C9' C1' C6' 127.65(12)
C8' C1' C6' 89.83(10)
C2' C1' C6' 89.79(10)
O6 C10' O5 123.68(14)
O6 C10' C4' 125.60(14)
O5 C10' C4' 110.72(14)
C3' C8' C1' 89.86(10)
C3' C8' C7' 90.38(11)
C1' C8' C7' 90.01(11)
C3' C8' H8' 125.2
C1' C8' H8' 125.2
C7' C8' H8' 125.2
O5 C11' H11E 109.5
O5 C11' H11F 109.5
H11E C11' H11F 109.5
O5 C11' H11D 109.5
H11E C11' H11D 109.5
H11F C11' H11D 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
O1 C9 1.4271(17)
O1 H1 0.83(2)
O2 C10 1.3321(19)
O2 C11 1.4483(18)
C7 C8 1.561(2)
C7 C6 1.5674(18)
C7 C4 1.575(2)
C7 H7 0.9800
O3 C10 1.199(2)
C9 C1 1.4964(19)
C9 H9A 0.9700
C9 H9B 0.9700
C6 C5 1.5691(19)
C6 C1 1.5809(19)
C6 H6 0.9800
C3 C2 1.5647(18)
C3 C8 1.571(2)
C3 C4 1.577(2)
C3 H3 0.9800
C4 C10 1.4832(19)
C4 C5 1.5621(18)
C1 C8 1.5688(18)
C1 C2 1.5692(19)
C2 C5 1.5724(19)
C2 H2 0.9800
C5 H5 0.9800
C8 H8 0.9800
C11 H11A 0.9600
C11 H11B 0.9600
C11 H11C 0.9600
O1' C9' 1.4247(17)
O1' H' 0.84(2)
C5' C4' 1.5603(18)
C5' C6' 1.5696(19)
C5' C2' 1.577(2)
C5' H5' 0.9800
C9' C1' 1.4927(19)
C9' H9D 0.9700
C9' H9C 0.9700
O5 C10' 1.3303(19)
O5 C11' 1.4473(18)
C4' C10' 1.482(2)
C4' C3' 1.567(2)
C4' C7' 1.5844(19)
C6' C7' 1.5633(18)
C6' C1' 1.5771(19)
C6' H6' 0.9800
C2' C3' 1.5635(19)
C2' C1' 1.5745(19)
C2' H2' 0.9800
C7' C8' 1.568(2)
C7' H7' 0.9800
O6 C10' 1.199(2)
C3' C8' 1.565(2)
C3' H3' 0.9800
C1' C8' 1.5677(18)
C8' H8' 0.9800
C11' H11E 0.9600
C11' H11F 0.9600
C11' H11D 0.9600
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1' H' O1 0.84(2) 1.88(2) 2.7238(15) 177(2) 1_545
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
C8 C7 C6 C5 90.09(11)
C4 C7 C6 C5 -0.20(11)
C8 C7 C6 C1 -0.04(10)
C4 C7 C6 C1 -90.33(11)
C8 C7 C4 C10 132.28(14)
C6 C7 C4 C10 -137.07(14)
C8 C7 C4 C5 -90.44(11)
C6 C7 C4 C5 0.20(11)
C8 C7 C4 C3 0.29(10)
C6 C7 C4 C3 90.93(10)
C2 C3 C4 C10 136.28(14)
C8 C3 C4 C10 -133.52(14)
C2 C3 C4 C5 -0.09(10)
C8 C3 C4 C5 90.10(10)
C2 C3 C4 C7 -90.48(10)
C8 C3 C4 C7 -0.29(10)
O1 C9 C1 C8 -63.86(17)
O1 C9 C1 C2 176.87(12)
O1 C9 C1 C6 57.03(19)
C7 C6 C1 C9 -135.35(14)
C5 C6 C1 C9 134.23(14)
C7 C6 C1 C8 0.04(10)
C5 C6 C1 C8 -90.38(10)
C7 C6 C1 C2 90.17(10)
C5 C6 C1 C2 -0.25(10)
C8 C3 C2 C1 0.69(10)
C4 C3 C2 C1 90.53(10)
C8 C3 C2 C5 -89.75(11)
C4 C3 C2 C5 0.09(10)
C9 C1 C2 C3 133.76(14)
C8 C1 C2 C3 -0.69(10)
C6 C1 C2 C3 -90.55(10)
C9 C1 C2 C5 -135.44(14)
C8 C1 C2 C5 90.11(10)
C6 C1 C2 C5 0.25(10)
C10 C4 C5 C6 136.05(14)
C7 C4 C5 C6 -0.20(11)
C3 C4 C5 C6 -89.78(11)
C10 C4 C5 C2 -134.07(14)
C7 C4 C5 C2 89.67(10)
C3 C4 C5 C2 0.09(10)
C7 C6 C5 C4 0.20(11)
C1 C6 C5 C4 89.61(10)
C7 C6 C5 C2 -89.16(10)
C1 C6 C5 C2 0.25(10)
C3 C2 C5 C4 -0.09(10)
C1 C2 C5 C4 -90.05(10)
C3 C2 C5 C6 89.71(10)
C1 C2 C5 C6 -0.25(10)
C6 C7 C8 C1 0.04(10)
C4 C7 C8 C1 89.43(10)
C6 C7 C8 C3 -89.68(10)
C4 C7 C8 C3 -0.29(10)
C9 C1 C8 C7 136.25(14)
C2 C1 C8 C7 -89.60(10)
C6 C1 C8 C7 -0.04(10)
C9 C1 C8 C3 -133.47(14)
C2 C1 C8 C3 0.69(10)
C6 C1 C8 C3 90.24(10)
C2 C3 C8 C7 89.40(10)
C4 C3 C8 C7 0.29(10)
C2 C3 C8 C1 -0.69(10)
C4 C3 C8 C1 -89.80(10)
C11 O2 C10 O3 -1.0(3)
C11 O2 C10 C4 179.54(15)
C5 C4 C10 O3 -0.2(3)
C7 C4 C10 O3 122.06(18)
C3 C4 C10 O3 -120.92(19)
C5 C4 C10 O2 179.18(14)
C7 C4 C10 O2 -58.55(19)
C3 C4 C10 O2 58.47(19)
C6' C5' C4' C10' 134.14(14)
C2' C5' C4' C10' -135.88(14)
C6' C5' C4' C3' -89.33(11)
C2' C5' C4' C3' 0.64(10)
C6' C5' C4' C7' 0.36(10)
C2' C5' C4' C7' 90.34(11)
C4' C5' C6' C7' -0.37(11)
C2' C5' C6' C7' -89.69(10)
C4' C5' C6' C1' 89.47(10)
C2' C5' C6' C1' 0.15(10)
C4' C5' C2' C3' -0.64(10)
C6' C5' C2' C3' 89.52(10)
C4' C5' C2' C1' -90.31(10)
C6' C5' C2' C1' -0.15(10)
C5' C6' C7' C8' 89.96(11)
C1' C6' C7' C8' -0.24(10)
C5' C6' C7' C4' 0.36(10)
C1' C6' C7' C4' -89.84(10)
C10' C4' C7' C6' -135.63(14)
C5' C4' C7' C6' -0.36(11)
C3' C4' C7' C6' 90.43(11)
C10' C4' C7' C8' 134.04(14)
C5' C4' C7' C8' -90.70(11)
C3' C4' C7' C8' 0.10(10)
C1' C2' C3' C8' 0.35(10)
C5' C2' C3' C8' -89.68(11)
C1' C2' C3' C4' 90.67(11)
C5' C2' C3' C4' 0.64(10)
C10' C4' C3' C2' 136.42(14)
C5' C4' C3' C2' -0.64(11)
C7' C4' C3' C2' -90.58(10)
C10' C4' C3' C8' -133.10(14)
C5' C4' C3' C8' 89.84(10)
C7' C4' C3' C8' -0.10(10)
O1' C9' C1' C8' -64.84(17)
O1' C9' C1' C2' 177.70(12)
O1' C9' C1' C6' 56.64(18)
C3' C2' C1' C9' 132.52(14)
C5' C2' C1' C9' -137.15(14)
C3' C2' C1' C8' -0.35(10)
C5' C2' C1' C8' 89.97(10)
C3' C2' C1' C6' -90.18(10)
C5' C2' C1' C6' 0.14(10)
C7' C6' C1' C9' -134.98(14)
C5' C6' C1' C9' 134.64(14)
C7' C6' C1' C8' 0.24(10)
C5' C6' C1' C8' -90.14(10)
C7' C6' C1' C2' 90.23(10)
C5' C6' C1' C2' -0.15(10)
C11' O5 C10' O6 0.4(3)
C11' O5 C10' C4' -179.89(15)
C5' C4' C10' O6 -8.3(3)
C3' C4' C10' O6 -130.80(19)
C7' C4' C10' O6 111.1(2)
C5' C4' C10' O5 171.99(14)
C3' C4' C10' O5 49.5(2)
C7' C4' C10' O5 -68.61(18)
C2' C3' C8' C1' -0.36(11)
C4' C3' C8' C1' -89.90(10)
C2' C3' C8' C7' 89.65(11)
C4' C3' C8' C7' 0.10(10)
C9' C1' C8' C3' -132.33(13)
C2' C1' C8' C3' 0.35(10)
C6' C1' C8' C3' 90.14(11)
C9' C1' C8' C7' 137.28(13)
C2' C1' C8' C7' -90.03(11)
C6' C1' C8' C7' -0.24(10)
C6' C7' C8' C3' -89.61(10)
C4' C7' C8' C3' -0.10(10)
C6' C7' C8' C1' 0.24(10)
C4' C7' C8' C1' 89.76(10)
