##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
bis{(1S,2S,4S,5R)-2-[(R)-hydroxy(6-methoxy-
4-quinolyl)methyl]-5-vinylquinuclidinium} sulfate dihydrate
;
_chemical_name_common     'Quinine sulfate dihydrate'
_chemical_formula_moiety     '2(C20 H25 N2 O2 +), O4 S 2-, 2(H2 O)'
_chemical_formula_sum     'C40 H54 N4 O10 S'
_chemical_formula_iupac     '2C20 H25 N2 O2 +, S O4 2-, 2H2 O'
_chemical_formula_weight     782.94
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'C 2'
_symmetry_space_group_name_Hall     'C 2y'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y, -z'
    'x+1/2, y+1/2, z'
    '-x+1/2, y+1/2, -z'
_cell_length_a     20.180(7)
_cell_length_b     6.637(2)
_cell_length_c     15.316(6)
_cell_angle_alpha     90.00
_cell_angle_beta     113.288(9)
_cell_angle_gamma     90.00
_cell_volume     1884.2(11)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     3041
_cell_measurement_theta_min     3.142
_cell_measurement_theta_max     70.749
_cell_measurement_temperature     100(2)
_exptl_crystal_description     Plate
_exptl_crystal_colour     Colourless
_exptl_crystal_size_max     0.24
_exptl_crystal_size_mid     0.15
_exptl_crystal_size_min     0.04
_exptl_crystal_density_diffrn     1.380
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     836
_exptl_absorpt_coefficient_mu     1.309
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2003)'
_exptl_absorpt_correction_T_min     0.743
_exptl_absorpt_correction_T_max     0.949
_exptl_special_details
;
;
_diffrn_ambient_temperature     100(2)
_diffrn_radiation_type     CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     'crossed Globel mirrors'
_diffrn_measurement_device_type     'Bruker SMART 6000'
_diffrn_measurement_method     'ω and φ scan'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     9588
_diffrn_reflns_av_R_equivalents     0.0632
_diffrn_reflns_av_sigmaI/netI     0.0649
_diffrn_reflns_theta_min     3.14
_diffrn_reflns_theta_max     70.67
_diffrn_reflns_theta_full     67.70
_diffrn_measured_fraction_theta_max     0.986
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -24
_diffrn_reflns_limit_h_max     23
_diffrn_reflns_limit_k_min     -8
_diffrn_reflns_limit_k_max     7
_diffrn_reflns_limit_l_min     -18
_diffrn_reflns_limit_l_max     18
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total     3319
_reflns_number_gt     3112
_reflns_threshold_expression     I>2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0416
_refine_ls_R_factor_gt     0.0390
_refine_ls_wR_factor_gt     0.0938
_refine_ls_wR_factor_ref     0.0954
_refine_ls_goodness_of_fit_ref     1.039
_refine_ls_restrained_S_all     1.039
_refine_ls_number_reflns     3319
_refine_ls_number_parameters     251
_refine_ls_number_restraints     1
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0484P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.324
_refine_diff_density_min     -0.291
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
_refine_ls_abs_structure_details     'Flack (1983), 1339 Friedel pairs'
_refine_ls_abs_structure_Flack     0.00(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'
    'S' 'S' 0.3331 0.5567
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 2001)'
_computing_cell_refinement     'SAINT (Bruker, 2003)'
_computing_data_reduction     'SAINT (Bruker, 2003)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics
                           'PLUTON (Spek, 2009) and DIAMOND (Brandenburg, 2010)'
_computing_publication_material     'PLATON (Spek, 2009)'
loop_
    _atom_site_type_symbol
    _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_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    S S1 0.5000 0.51309(11) 1.0000 0.01395(17) Uani d S 1 . .
    O O1 0.47279(8) 0.1096(3) 0.69000(11) 0.0189(3) Uani d . 1 . .
    O O2 0.32201(8) 0.9132(3) 0.79914(10) 0.0157(3) Uani d . 1 . .
    H H2 0.3533 0.9443 0.8528 0.024 Uiso calc R 1 . .
    O O3 0.40574(8) 0.9948(3) 0.98222(10) 0.0203(3) Uani d . 1 . .
    H H3A 0.4308 1.1028 0.9875 0.024 Uiso d R 1 . .
    H H3B 0.4378 0.9042 1.0097 0.024 Uiso d R 1 . .
    O O4 0.47838(9) 0.6396(3) 1.06305(11) 0.0224(4) Uani d . 1 . .
    O O5 0.43932(8) 0.3783(3) 0.94218(11) 0.0189(4) Uani d . 1 . .
    C C1 0.48547(12) 0.0841(4) 0.78784(16) 0.0209(5) Uani d . 1 . .
    H H1A 0.5164 0.1934 0.8252 0.031 Uiso calc R 1 . .
    H H1B 0.5094 -0.0456 0.8104 0.031 Uiso calc R 1 . .
    H H1C 0.4394 0.0869 0.7951 0.031 Uiso calc R 1 . .
    C C2 0.43495(11) 0.2754(4) 0.64592(15) 0.0147(4) Uani d . 1 . .
    C C3 0.42548(11) 0.2932(4) 0.54931(15) 0.0178(5) Uani d . 1 . .
    H H3 0.4423 0.1899 0.5203 0.021 Uiso calc R 1 . .
    C C4 0.39215(11) 0.4589(4) 0.49829(15) 0.0185(5) Uani d . 1 . .
    H H4 0.3874 0.4712 0.4343 0.022 Uiso calc R 1 . .
    C C5 0.36455(11) 0.6127(4) 0.53810(15) 0.0163(4) Uani d . 1 . .
    C C6 0.30432(11) 0.9131(4) 0.52007(15) 0.0167(4) Uani d . 1 . .
    H H6 0.2819 1.0268 0.4823 0.020 Uiso calc R 1 . .
    C C7 0.30701(11) 0.9037(4) 0.61389(15) 0.0156(4) Uani d . 1 . .
    H H7 0.2859 1.0076 0.6370 0.019 Uiso calc R 1 . .
    C C8 0.34015(11) 0.7442(4) 0.67093(14) 0.0141(4) Uani d . 1 . .
    C C9 0.37165(10) 0.5906(4) 0.63416(15) 0.0141(4) Uani d . 1 . .
    C C10 0.40826(10) 0.4200(4) 0.68725(14) 0.0145(4) Uani d . 1 . .
    H H10 0.4143 0.4060 0.7517 0.017 Uiso calc R 1 . .
    C C11 0.34041(11) 0.7262(4) 0.77006(14) 0.0138(4) Uani d . 1 . .
    H H11 0.3896 0.6852 0.8157 0.017 Uiso calc R 1 . .
    C C12 0.28570(10) 0.5609(3) 0.76677(14) 0.0132(4) Uani d . 1 . .
    H H12 0.2928 0.4457 0.7293 0.016 Uiso calc R 1 . .
    C C13 0.20590(10) 0.6274(4) 0.71813(14) 0.0150(4) Uani d . 1 . .
    H H13A 0.2034 0.7728 0.7028 0.018 Uiso calc R 1 . .
    H H13B 0.1818 0.5519 0.6581 0.018 Uiso calc R 1 . .
    C C14 0.16724(11) 0.5862(4) 0.78526(15) 0.0161(5) Uani d . 1 . .
    H H14 0.1155 0.6282 0.7539 0.019 Uiso calc R 1 . .
    C C15 0.20490(12) 0.7091(4) 0.87635(16) 0.0181(5) Uani d . 1 . .
    H H15A 0.1779 0.6971 0.9178 0.022 Uiso calc R 1 . .
    H H15B 0.2064 0.8530 0.8604 0.022 Uiso calc R 1 . .
    C C16 0.28208(11) 0.6285(4) 0.92844(14) 0.0166(4) Uani d . 1 . .
    H H16A 0.3169 0.7416 0.9450 0.020 Uiso calc R 1 . .
    H H16B 0.2864 0.5605 0.9880 0.020 Uiso calc R 1 . .
    C C17 0.25215(11) 0.2979(4) 0.85222(15) 0.0159(5) Uani d . 1 . .
    H H17A 0.2651 0.2279 0.9138 0.019 Uiso calc R 1 . .
    H H17B 0.2601 0.2038 0.8072 0.019 Uiso calc R 1 . .
    C C18 0.17165(11) 0.3630(4) 0.81314(15) 0.0154(5) Uani d . 1 . .
    H H18 0.1538 0.3483 0.8652 0.018 Uiso calc R 1 . .
    C C19 0.12712(12) 0.2289(4) 0.73183(16) 0.0216(5) Uani d . 1 . .
    H H19 0.1365 0.2326 0.6757 0.026 Uiso calc R 1 . .
    C C20 0.07601(13) 0.1066(4) 0.73313(19) 0.0281(6) Uani d . 1 . .
    H H20A 0.0652 0.0991 0.7881 0.034 Uiso calc R 1 . .
    H H20B 0.0500 0.0260 0.6791 0.034 Uiso calc R 1 . .
    N N1 0.33113(10) 0.7734(3) 0.48223(13) 0.0185(4) Uani d . 1 . .
    N N2 0.29863(9) 0.4822(3) 0.86512(12) 0.0134(4) Uani d . 1 . .
    H H2N 0.3467 0.4438 0.8948 0.016 Uiso calc R 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    S1 O4 . 1.4703(17) ?
    S1 O4 2_657 1.4703(17) ?
    S1 O5 2_657 1.4923(16) ?
    S1 O5 . 1.4923(16) ?
    O1 C2 . 1.357(3) ?
    O1 C1 . 1.427(3) ?
    O2 C11 . 1.417(3) ?
    O2 H2 . 0.8400 ?
    O3 H3A . 0.8626 ?
    O3 H3B . 0.8622 ?
    C1 H1A . 0.9800 ?
    C1 H1B . 0.9800 ?
    C1 H1C . 0.9800 ?
    C2 C10 . 1.372(3) ?
    C2 C3 . 1.420(3) ?
    C3 C4 . 1.362(4) ?
    C3 H3 . 0.9500 ?
    C4 C5 . 1.412(3) ?
    C4 H4 . 0.9500 ?
    C5 N1 . 1.367(3) ?
    C5 C9 . 1.428(3) ?
    C6 N1 . 1.317(3) ?
    C6 C7 . 1.418(3) ?
    C6 H6 . 0.9500 ?
    C7 C8 . 1.367(3) ?
    C7 H7 . 0.9500 ?
    C8 C9 . 1.429(3) ?
    C8 C11 . 1.521(3) ?
    C9 C10 . 1.419(3) ?
    C10 H10 . 0.9500 ?
    C11 C12 . 1.543(3) ?
    C11 H11 . 1.0000 ?
    C12 N2 . 1.517(3) ?
    C12 C13 . 1.547(3) ?
    C12 H12 . 1.0000 ?
    C13 C14 . 1.541(3) ?
    C13 H13A . 0.9900 ?
    C13 H13B . 0.9900 ?
    C14 C15 . 1.533(3) ?
    C14 C18 . 1.535(4) ?
    C14 H14 . 1.0000 ?
    C15 C16 . 1.538(3) ?
    C15 H15A . 0.9900 ?
    C15 H15B . 0.9900 ?
    C16 N2 . 1.500(3) ?
    C16 H16A . 0.9900 ?
    C16 H16B . 0.9900 ?
    C17 N2 . 1.506(3) ?
    C17 C18 . 1.554(3) ?
    C17 H17A . 0.9900 ?
    C17 H17B . 0.9900 ?
    C18 C19 . 1.505(3) ?
    C18 H18 . 1.0000 ?
    C19 C20 . 1.319(4) ?
    C19 H19 . 0.9500 ?
    C20 H20A . 0.9500 ?
    C20 H20B . 0.9500 ?
    N2 H2N . 0.9300 ?
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_3
    _geom_angle
    _geom_angle_publ_flag
    O4 S1 O4 . 2_657 110.34(12) ?
    O4 S1 O5 . 2_657 109.85(9) ?
    O4 S1 O5 2_657 2_657 110.20(9) ?
    O4 S1 O5 . . 110.20(9) ?
    O4 S1 O5 2_657 . 109.85(9) ?
    O5 S1 O5 2_657 . 106.33(11) ?
    C2 O1 C1 . . 116.78(18) ?
    C11 O2 H2 . . 109.5 ?
    H3A O3 H3B . . 103.5 ?
    O1 C1 H1A . . 109.5 ?
    O1 C1 H1B . . 109.5 ?
    H1A C1 H1B . . 109.5 ?
    O1 C1 H1C . . 109.5 ?
    H1A C1 H1C . . 109.5 ?
    H1B C1 H1C . . 109.5 ?
    O1 C2 C10 . . 125.74(19) ?
    O1 C2 C3 . . 113.79(19) ?
    C10 C2 C3 . . 120.5(2) ?
    C4 C3 C2 . . 119.8(2) ?
    C4 C3 H3 . . 120.1 ?
    C2 C3 H3 . . 120.1 ?
    C3 C4 C5 . . 121.70(19) ?
    C3 C4 H4 . . 119.2 ?
    C5 C4 H4 . . 119.2 ?
    N1 C5 C4 . . 118.38(19) ?
    N1 C5 C9 . . 123.3(2) ?
    C4 C5 C9 . . 118.4(2) ?
    N1 C6 C7 . . 123.8(2) ?
    N1 C6 H6 . . 118.1 ?
    C7 C6 H6 . . 118.1 ?
    C8 C7 C6 . . 119.7(2) ?
    C8 C7 H7 . . 120.2 ?
    C6 C7 H7 . . 120.2 ?
    C7 C8 C9 . . 118.79(19) ?
    C7 C8 C11 . . 120.4(2) ?
    C9 C8 C11 . . 120.7(2) ?
    C10 C9 C5 . . 119.3(2) ?
    C10 C9 C8 . . 123.71(19) ?
    C5 C9 C8 . . 117.0(2) ?
    C2 C10 C9 . . 120.28(19) ?
    C2 C10 H10 . . 119.9 ?
    C9 C10 H10 . . 119.9 ?
    O2 C11 C8 . . 110.29(18) ?
    O2 C11 C12 . . 111.09(16) ?
    C8 C11 C12 . . 107.66(17) ?
    O2 C11 H11 . . 109.3 ?
    C8 C11 H11 . . 109.3 ?
    C12 C11 H11 . . 109.3 ?
    N2 C12 C11 . . 111.88(16) ?
    N2 C12 C13 . . 108.31(15) ?
    C11 C12 C13 . . 114.11(19) ?
    N2 C12 H12 . . 107.4 ?
    C11 C12 H12 . . 107.4 ?
    C13 C12 H12 . . 107.4 ?
    C14 C13 C12 . . 109.47(17) ?
    C14 C13 H13A . . 109.8 ?
    C12 C13 H13A . . 109.8 ?
    C14 C13 H13B . . 109.8 ?
    C12 C13 H13B . . 109.8 ?
    H13A C13 H13B . . 108.2 ?
    C15 C14 C18 . . 107.87(18) ?
    C15 C14 C13 . . 108.27(18) ?
    C18 C14 C13 . . 111.57(18) ?
    C15 C14 H14 . . 109.7 ?
    C18 C14 H14 . . 109.7 ?
    C13 C14 H14 . . 109.7 ?
    C14 C15 C16 . . 108.85(18) ?
    C14 C15 H15A . . 109.9 ?
    C16 C15 H15A . . 109.9 ?
    C14 C15 H15B . . 109.9 ?
    C16 C15 H15B . . 109.9 ?
    H15A C15 H15B . . 108.3 ?
    N2 C16 C15 . . 109.17(17) ?
    N2 C16 H16A . . 109.8 ?
    C15 C16 H16A . . 109.8 ?
    N2 C16 H16B . . 109.8 ?
    C15 C16 H16B . . 109.8 ?
    H16A C16 H16B . . 108.3 ?
    N2 C17 C18 . . 109.07(18) ?
    N2 C17 H17A . . 109.9 ?
    C18 C17 H17A . . 109.9 ?
    N2 C17 H17B . . 109.9 ?
    C18 C17 H17B . . 109.9 ?
    H17A C17 H17B . . 108.3 ?
    C19 C18 C14 . . 113.00(19) ?
    C19 C18 C17 . . 110.20(19) ?
    C14 C18 C17 . . 108.20(18) ?
    C19 C18 H18 . . 108.4 ?
    C14 C18 H18 . . 108.4 ?
    C17 C18 H18 . . 108.4 ?
    C20 C19 C18 . . 124.5(2) ?
    C20 C19 H19 . . 117.8 ?
    C18 C19 H19 . . 117.8 ?
    C19 C20 H20A . . 120.0 ?
    C19 C20 H20B . . 120.0 ?
    H20A C20 H20B . . 120.0 ?
    C6 N1 C5 . . 117.42(18) ?
    C16 N2 C17 . . 108.91(16) ?
    C16 N2 C12 . . 115.10(17) ?
    C17 N2 C12 . . 107.21(16) ?
    C16 N2 H2N . . 108.5 ?
    C17 N2 H2N . . 108.5 ?
    C12 N2 H2N . . 108.5 ?
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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C1 O1 C2 C10 . . . . 0.3(3) ?
    C1 O1 C2 C3 . . . . 178.89(18) ?
    O1 C2 C3 C4 . . . . -176.14(19) ?
    C10 C2 C3 C4 . . . . 2.6(3) ?
    C2 C3 C4 C5 . . . . -1.9(3) ?
    C3 C4 C5 N1 . . . . -179.3(2) ?
    C3 C4 C5 C9 . . . . -0.6(3) ?
    N1 C6 C7 C8 . . . . 1.3(3) ?
    C6 C7 C8 C9 . . . . 0.2(3) ?
    C6 C7 C8 C11 . . . . -177.01(19) ?
    N1 C5 C9 C10 . . . . -179.0(2) ?
    C4 C5 C9 C10 . . . . 2.3(3) ?
    N1 C5 C9 C8 . . . . 1.6(3) ?
    C4 C5 C9 C8 . . . . -177.13(19) ?
    C7 C8 C9 C10 . . . . 179.07(19) ?
    C11 C8 C9 C10 . . . . -3.7(3) ?
    C7 C8 C9 C5 . . . . -1.5(3) ?
    C11 C8 C9 C5 . . . . 175.70(18) ?
    O1 C2 C10 C9 . . . . 177.73(19) ?
    C3 C2 C10 C9 . . . . -0.8(3) ?
    C5 C9 C10 C2 . . . . -1.6(3) ?
    C8 C9 C10 C2 . . . . 177.8(2) ?
    C7 C8 C11 O2 . . . . -16.4(3) ?
    C9 C8 C11 O2 . . . . 166.46(18) ?
    C7 C8 C11 C12 . . . . 105.0(2) ?
    C9 C8 C11 C12 . . . . -72.2(2) ?
    O2 C11 C12 N2 . . . . -78.0(2) ?
    C8 C11 C12 N2 . . . . 161.20(17) ?
    O2 C11 C12 C13 . . . . 45.5(2) ?
    C8 C11 C12 C13 . . . . -75.4(2) ?
    N2 C12 C13 C14 . . . . -1.2(3) ?
    C11 C12 C13 C14 . . . . -126.55(19) ?
    C12 C13 C14 C15 . . . . 60.7(2) ?
    C12 C13 C14 C18 . . . . -57.9(2) ?
    C18 C14 C15 C16 . . . . 55.2(2) ?
    C13 C14 C15 C16 . . . . -65.7(2) ?
    C14 C15 C16 N2 . . . . 9.5(2) ?
    C15 C14 C18 C19 . . . . 171.51(16) ?
    C13 C14 C18 C19 . . . . -69.7(2) ?
    C15 C14 C18 C17 . . . . -66.2(2) ?
    C13 C14 C18 C17 . . . . 52.6(2) ?
    N2 C17 C18 C19 . . . . 133.72(19) ?
    N2 C17 C18 C14 . . . . 9.7(2) ?
    C14 C18 C19 C20 . . . . -123.4(3) ?
    C17 C18 C19 C20 . . . . 115.4(3) ?
    C7 C6 N1 C5 . . . . -1.3(3) ?
    C4 C5 N1 C6 . . . . 178.53(19) ?
    C9 C5 N1 C6 . . . . -0.2(3) ?
    C15 C16 N2 C17 . . . . -67.5(2) ?
    C15 C16 N2 C12 . . . . 52.9(2) ?
    C18 C17 N2 C16 . . . . 55.8(2) ?
    C18 C17 N2 C12 . . . . -69.36(19) ?
    C11 C12 N2 C16 . . . . 69.1(2) ?
    C13 C12 N2 C16 . . . . -57.5(2) ?
    C11 C12 N2 C17 . . . . -169.59(17) ?
    C13 C12 N2 C17 . . . . 63.8(2) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    C11 H11 O4 2_657 1.00 2.59 3.584(3) 171 yes
    C16 H16A O3 . 0.99 2.36 3.345(3) 176 yes
    C17 H17B O2 1_545 0.99 2.33 3.174(3) 143 yes
    N2 H2N O5 . 0.93 1.77 2.698(3) 175 yes
    O2 H2 O3 . 0.84 1.87 2.695(2) 166 yes
    O3 H3A O5 1_565 0.86 1.99 2.765(3) 149 yes
    O3 H3B O4 . 0.86 1.97 2.794(3) 159 yes
    C6 H6 Cg2 4_556 0.95 2.67 3.482(3) 144 yes
    C20 H20B Cg1 3_445 0.95 2.85 3.530(3) 130 yes
data_global
_journal_date_recd_electronic     2010-07-30
_journal_date_accepted     2010-08-25
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2010
_journal_volume     66
_journal_issue      9
_journal_page_first     o2443
_journal_page_last     o2444
_journal_paper_category     QO
_journal_coeditor_code     LX2164
_publ_contact_author_name     'luc.vanmeervelt@chem.kuleuven.be'
_publ_contact_author_address
;
Katholieke Universiteit Leuven
Department of Chemistry
Celestijnenlaan 200F
B-3001 Leuven (Heverlee)
Belgium
;
_publ_contact_author_email     luc.vanmeervelt@chem.kuleuven.be
_publ_contact_author_fax     '+32-16-327990'
_publ_contact_author_phone     '+32-16-327609'
_publ_section_title
;\
Redetermination of
bis{(1S,2S,4S,5R)-2-[(R)-hydroxy(6-\
methoxy-4-quinolyl)methyl]-5-vinylquinuclidinium} sulfate dihydrate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Mangwala Kimpende, Peter' .
;
Katholieke Universiteit Leuven
Department of Chemistry
Celestijnenlaan 200F
B-3001 Leuven (Heverlee)
Belgium
;
    'Van Meervelt, Luc' .
;
Katholieke Universiteit Leuven
Department of Chemistry
Celestijnenlaan 200F
B-3001 Leuven (Heverlee)
Belgium
;
