# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_MK-15-003-LT
_database_code_depnum_ccdc_archive 'CCDC 1413541'
_audit_update_record             
;
2015-08-14 deposited with the CCDC.
2015-08-18 downloaded from the CCDC.
;
_audit_creation_date             2015-04-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_formula_moiety         'C37 H39 F O5'
_chemical_formula_sum            'C37 H39 F O5'
_chemical_formula_weight         582.72
_chemical_absolute_configuration unk

#loop_
#_atom_type_symbol
#_atom_type_scat_dispersion_real
#_atom_type_scat_dispersion_imag
#_atom_type_scat_Cromer_Mann_a1
#_atom_type_scat_Cromer_Mann_a2
#_atom_type_scat_Cromer_Mann_a3
#_atom_type_scat_Cromer_Mann_a4
#_atom_type_scat_Cromer_Mann_b1
#_atom_type_scat_Cromer_Mann_b2
#_atom_type_scat_Cromer_Mann_b3
#_atom_type_scat_Cromer_Mann_b4
#_atom_type_scat_Cromer_Mann_c
#_atom_type_scat_source
#_atom_type_scat_dispersion_source
#H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
#57.79970 0.0030380000826
#'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
#'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
#C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
#51.65120 0.215599998832
#'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
#'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
#O 0.01159 0.00612 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
#32.90890 0.250800013542
#'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
#'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
#F 0.01795 0.01034 3.53920 2.64120 1.51700 1.02430 10.28250 4.29440 0.26150
#26.14760 0.277599990368
#'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
#'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        P1211
_space_group_name_Hall           ' P 2yb'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z

_symmetry_Int_Tables_number      4
_cell_length_a                   12.036(5)
_cell_length_b                   10.533(5)
_cell_length_c                   12.239(5)
_cell_angle_alpha                90
_cell_angle_beta                 94.749(10)
_cell_angle_gamma                90
_cell_volume                     1546.3(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)

_exptl_crystal_description       needle
_exptl_crystal_colour            white
_exptl_crystal_F_000             620.3383
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_absorpt_coefficient_mu    0.086
_exptl_crystal_density_diffrn    1.2515

_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_unetI/netI     0.0748
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_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            20929
_diffrn_reflns_theta_full        30.1483
_diffrn_reflns_theta_max         30.15
_diffrn_reflns_theta_min         1.67
_diffrn_ambient_temperature      100.15
_diffrn_measured_fraction_theta_full 0.9553
_diffrn_measured_fraction_theta_max 0.9553
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_wavelength     0.71095
_diffrn_measurement_device_type  'Nonius Kappa CCD'

_reflns_Friedel_coverage         0.917
_reflns_limit_h_max              16
_reflns_limit_h_min              -17
_reflns_limit_k_max              14
_reflns_limit_k_min              -14
_reflns_limit_l_max              17
_reflns_limit_l_min              -17
_reflns_number_gt                6688
_reflns_number_total             8725
_reflns_threshold_expression     I>=2u(I)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.8790
_refine_diff_density_min         -0.8275
_refine_diff_density_rms         0.2200
_refine_ls_abs_structure_details 
'Flack, H. D. (1983). Acta Cryst. A39, 876-881.'
_refine_ls_abs_structure_Flack   10.68(10)
_refine_ls_d_res_high            0.7078
_refine_ls_d_res_low             12.1970
_refine_ls_goodness_of_fit_ref   0.9821
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    72
_refine_ls_number_parameters     387
_refine_ls_number_reflns         8725
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0928
_refine_ls_R_factor_gt           0.0655
_refine_ls_restrained_S_all      0.9821
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1206P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1604
_refine_ls_wR_factor_ref         0.1831
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C7(H7)
2.b Secondary CH2 refined with riding coordinates:
 C11(H11a,H11b), C19(H19a,H19b), C27(H27a,H27b), C34(H34a,H34b), C36(H36a,H36b)
2.c Aromatic/amide H refined with riding coordinates:
 C8(H8), C13(H13), C14(H14), C15(H15), C16(H16), C17(H17), C21(H21), C22(H22),
 C23(H23), C24(H24), C25(H25), C29(H29), C30(H30), C31(H31), C32(H32), C33(H33),
  C38(H38), C39(H39), C40(H40), C41(H41), C42(H42)
2.d X=CH2 refined with riding coordinates:
 C9(H9a,H9b)
;
_atom_sites_solution_primary     iterative
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_refinement_flags_posn
C2 C -0.2752(2) -0.7099(2) -0.4859(2) 0.0219(5) Uani 1.000000 .
H2 H -0.2988(2) -0.7678(2) -0.5482(2) 0.0263(6) Uiso 1.000000 R
C3 C -0.3122(2) -0.5750(2) -0.5150(2) 0.0242(5) Uani 1.000000 .
H3 H -0.3948(2) -0.5724(2) -0.5320(2) 0.0290(6) Uiso 1.000000 R
C4 C -0.2536(2) -0.5307(2) -0.61482(19) 0.0238(5) Uani 1.000000 .
H4 H -0.2724(2) -0.4398(2) -0.63124(19) 0.0285(6) Uiso 1.000000 R
C5 C -0.1271(2) -0.5453(2) -0.58989(18) 0.0210(5) Uani 1.000000 .
H5 H -0.1017(2) -0.4844(2) -0.53026(18) 0.0252(6) Uiso 1.000000 R
C6 C -0.0939(2) -0.6800(2) -0.55233(18) 0.0193(4) Uani 1.000000 .
H6 H -0.0143(2) -0.6751(2) -0.52195(18) 0.0231(5) Uiso 1.000000 R
C7 C -0.3246(2) -0.7566(3) -0.3821(2) 0.0262(5) Uani 1.000000 .
H7 H -0.2920(2) -0.7061(3) -0.3180(2) 0.0314(6) Uiso 1.000000 R
C8 C -0.3056(2) -0.8941(3) -0.3594(2) 0.0266(5) Uani 1.000000 .
H8 H -0.2309(2) -0.9222(3) -0.3442(2) 0.0319(6) Uiso 1.000000 R
C9 C -0.3859(3) -0.9798(3) -0.3590(2) 0.0335(6) Uani 1.000000 .
H9a H -0.4615(3) -0.9549(3) -0.3738(2) 0.0402(8) Uiso 1.000000 R
H9b H -0.3680(3) -1.0662(3) -0.3438(2) 0.0402(8) Uiso 1.000000 R
C11 C -0.3649(2) -0.4087(3) -0.3983(2) 0.0294(6) Uani 1.000000 .
H11a H -0.4310(2) -0.4558(3) -0.3771(2) 0.0353(7) Uiso 1.000000 R
H11b H -0.3879(2) -0.3564(3) -0.4634(2) 0.0353(7) Uiso 1.000000 R
C12 C -0.3206(2) -0.3250(3) -0.3056(2) 0.0260(5) Uani 1.000000 .
C13 C -0.2157(2) -0.2679(3) -0.3054(2) 0.0319(6) Uani 1.000000 .
H13 H -0.1699(2) -0.2854(3) -0.3632(2) 0.0383(7) Uiso 1.000000 R
C14 C -0.1778(3) -0.1862(3) -0.2221(3) 0.0366(7) Uani 1.000000 .
H14 H -0.1063(3) -0.1481(3) -0.2227(3) 0.0439(8) Uiso 1.000000 R
C15 C -0.2446(3) -0.1599(3) -0.1373(3) 0.0386(7) Uani 1.000000 .
H15 H -0.2188(3) -0.1035(3) -0.0802(3) 0.0463(9) Uiso 1.000000 R
C16 C -0.3486(3) -0.2161(3) -0.1362(2) 0.0368(7) Uani 1.000000 .
H16 H -0.3941(3) -0.1986(3) -0.0781(2) 0.0441(8) Uiso 1.000000 R
C17 C -0.3862(3) -0.2982(3) -0.2203(2) 0.0311(6) Uani 1.000000 .
H17 H -0.4576(3) -0.3364(3) -0.2194(2) 0.0373(7) Uiso 1.000000 R
C19 C -0.3349(2) -0.5397(3) -0.7991(2) 0.0275(6) Uani 1.000000 .
H19a H -0.2815(2) -0.4724(3) -0.8160(2) 0.0331(7) Uiso 1.000000 R
H19b H -0.4058(2) -0.4985(3) -0.7837(2) 0.0331(7) Uiso 1.000000 R
C20 C -0.3546(2) -0.6268(2) -0.8961(2) 0.0236(5) Uani 1.000000 .
C21 C -0.3467(2) -0.7581(3) -0.8878(2) 0.0262(5) Uani 1.000000 .
H21 H -0.3254(2) -0.7960(3) -0.8188(2) 0.0314(6) Uiso 1.000000 R
C22 C -0.3696(2) -0.8343(3) -0.9793(2) 0.0318(6) Uani 1.000000 .
H22 H -0.3638(2) -0.9240(3) -0.9730(2) 0.0381(7) Uiso 1.000000 R
C23 C -0.4012(3) -0.7785(3) -1.0810(2) 0.0357(7) Uani 1.000000 .
H23 H -0.4185(3) -0.8306(3) -1.1435(2) 0.0429(8) Uiso 1.000000 R
C24 C -0.4071(3) -0.6487(3) -1.0905(2) 0.0350(7) Uani 1.000000 .
H24 H -0.4268(3) -0.6108(3) -1.1599(2) 0.0420(8) Uiso 1.000000 R
C25 C -0.3842(2) -0.5729(3) -0.9985(2) 0.0295(6) Uani 1.000000 .
H25 H -0.3888(2) -0.4832(3) -1.0054(2) 0.0354(7) Uiso 1.000000 R
C27 C -0.0445(2) -0.3861(2) -0.6947(2) 0.0253(5) Uani 1.000000 .
H27a H 0.0145(2) -0.3603(2) -0.6379(2) 0.0304(6) Uiso 1.000000 R
H27b H -0.1121(2) -0.3351(2) -0.6849(2) 0.0304(6) Uiso 1.000000 R
C28 C -0.0058(2) -0.3633(2) -0.80791(19) 0.0215(5) Uani 1.000000 .
C29 C -0.0496(3) -0.4330(3) -0.8980(2) 0.0328(6) Uani 1.000000 .
H29 H -0.1011(3) -0.4996(3) -0.8886(2) 0.0394(7) Uiso 1.000000 R
C30 C -0.0177(3) -0.4050(3) -1.0019(2) 0.0437(8) Uani 1.000000 .
H30 H -0.0482(3) -0.4523(3) -1.0634(2) 0.0525(10) Uiso 1.000000 R
C31 C 0.0578(3) -0.3087(3) -1.0168(2) 0.0362(7) Uani 1.000000 .
H31 H 0.0786(3) -0.2894(3) -1.0881(2) 0.0434(8) Uiso 1.000000 R
C32 C 0.1030(2) -0.2408(3) -0.9270(2) 0.0282(6) Uani 1.000000 .
H32 H 0.1563(2) -0.1759(3) -0.9362(2) 0.0338(7) Uiso 1.000000 R
C33 C 0.0702(2) -0.2680(3) -0.8232(2) 0.0249(5) Uani 1.000000 .
H33 H 0.1006(2) -0.2204(3) -0.7620(2) 0.0299(6) Uiso 1.000000 R
C34 C -0.0983(2) -0.7787(2) -0.64310(19) 0.0212(5) Uani 1.000000 .
H34a H -0.1760(2) -0.8075(2) -0.66116(19) 0.0255(6) Uiso 1.000000 R
H34b H -0.0698(2) -0.7426(2) -0.71001(19) 0.0255(6) Uiso 1.000000 R
C36 C -0.0288(2) -0.9820(2) -0.68148(19) 0.0212(5) Uani 1.000000 .
H36a H 0.0304(2) -1.0435(2) -0.65715(19) 0.0254(6) Uiso 1.000000 R
H36b H -0.0103(2) -0.9461(2) -0.75246(19) 0.0254(6) Uiso 1.000000 R
C37 C -0.1394(2) -1.0516(2) -0.69807(19) 0.0207(5) Uani 1.000000 .
C38 C -0.1790(2) -1.0974(3) -0.8003(2) 0.0258(5) Uani 1.000000 .
H38 H -0.1376(2) -1.0829(3) -0.8619(2) 0.0309(6) Uiso 1.000000 R
C39 C -0.2787(2) -1.1641(3) -0.8131(2) 0.0312(6) Uani 1.000000 .
H39 H -0.3043(2) -1.1969(3) -0.8830(2) 0.0375(7) Uiso 1.000000 R
C40 C -0.3407(2) -1.1832(3) -0.7244(2) 0.0301(6) Uani 1.000000 .
H40 H -0.4091(2) -1.2286(3) -0.7336(2) 0.0362(7) Uiso 1.000000 R
C41 C -0.3034(2) -1.1362(3) -0.6224(2) 0.0303(6) Uani 1.000000 .
H41 H -0.3466(2) -1.1483(3) -0.5617(2) 0.0364(7) Uiso 1.000000 R
C42 C -0.2026(2) -1.0710(3) -0.6086(2) 0.0275(5) Uani 1.000000 .
H42 H -0.1766(2) -1.0398(3) -0.5383(2) 0.0330(7) Uiso 1.000000 R
O1 O -0.15714(14) -0.71761(15) -0.46282(12) 0.0198(3) Uani 1.000000 .
O10 O -0.28080(15) -0.49523(18) -0.42355(15) 0.0276(4) Uani 1.000000 .
O18 O -0.29185(18) -0.60864(17) -0.70585(14) 0.0311(5) Uani 1.000000 .
O26 O -0.06863(17) -0.51802(16) -0.68390(14) 0.0263(4) Uani 1.000000 .
O35 O -0.02995(14) -0.88258(16) -0.60309(13) 0.0207(3) Uani 1.000000 .
F7 F -0.43951(14) -0.73323(16) -0.39686(15) 0.0393(4) Uani 1.000000 .


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
C2 H2 1.0000 . ?
C2 C3 1.522(4) . ?
C2 C7 1.528(4) . ?
C2 O1 1.428(3) . ?
C3 H3 1.0000 . ?
C3 C4 1.533(4) . ?
C3 O10 1.426(3) . ?
C4 H4 1.0000 . ?
C4 C5 1.536(4) . ?
C4 O18 1.429(3) . ?
C5 H5 1.0000 . ?
C5 C6 1.534(3) . ?
C5 O26 1.426(3) . ?
C6 H6 1.0000 . ?
C6 C34 1.519(3) . ?
C6 O1 1.440(3) . ?
C7 H7 1.0000 . ?
C7 C8 1.489(4) . ?
C7 F7 1.402(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.323(4) . ?
C9 H9a 0.9500 . ?
C9 H9b 0.9500 . ?
C11 H11a 0.9900 . ?
C11 H11b 0.9900 . ?
C11 C12 1.499(4) . ?
C11 O10 1.415(3) . ?
C12 C13 1.398(4) . ?
C12 C17 1.389(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.383(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.392(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.386(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.391(4) . ?
C17 H17 0.9500 . ?
C19 H19a 0.9900 . ?
C19 H19b 0.9900 . ?
C19 C20 1.503(4) . ?
C19 O18 1.415(3) . ?
C20 C21 1.389(4) . ?
C20 C25 1.396(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.387(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.400(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.374(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.389(4) . ?
C25 H25 0.9500 . ?
C27 H27a 0.9900 . ?
C27 H27b 0.9900 . ?
C27 C28 1.517(3) . ?
C27 O26 1.428(3) . ?
C28 C29 1.392(4) . ?
C28 C33 1.381(4) . ?
C29 H29 0.9500 . ?
C29 C30 1.389(4) . ?
C30 H30 0.9500 . ?
C30 C31 1.384(4) . ?
C31 H31 0.9500 . ?
C31 C32 1.385(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.390(4) . ?
C33 H33 0.9500 . ?
C34 H34a 0.9900 . ?
C34 H34b 0.9900 . ?
C34 O35 1.431(3) . ?
C36 H36a 0.9900 . ?
C36 H36b 0.9900 . ?
C36 C37 1.518(4) . ?
C36 O35 1.421(3) . ?
C37 C38 1.388(4) . ?
C37 C42 1.399(3) . ?
C38 H38 0.9500 . ?
C38 C39 1.388(4) . ?
C39 H39 0.9500 . ?
C39 C40 1.381(4) . ?
C40 H40 0.9500 . ?
C40 C41 1.384(4) . ?
C41 H41 0.9500 . ?
C41 C42 1.392(4) . ?
C42 H42 0.9500 . ?

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
C3 C2 H2 109.37(13) . . ?
C7 C2 H2 109.37(13) . . ?
C7 C2 C3 111.7(2) . . ?
O1 C2 H2 109.37(11) . . ?
O1 C2 C3 111.5(2) . . ?
O1 C2 C7 105.47(19) . . ?
H3 C3 C2 109.96(13) . . ?
C4 C3 C2 109.0(2) . . ?
C4 C3 H3 109.96(14) . . ?
O10 C3 C2 108.2(2) . . ?
O10 C3 H3 109.96(13) . . ?
O10 C3 C4 109.7(2) . . ?
H4 C4 C3 109.88(13) . . ?
C5 C4 C3 108.98(19) . . ?
C5 C4 H4 109.88(13) . . ?
O18 C4 C3 107.8(2) . . ?
O18 C4 H4 109.88(12) . . ?
O18 C4 C5 110.4(2) . . ?
H5 C5 C4 108.57(12) . . ?
C6 C5 C4 112.4(2) . . ?
C6 C5 H5 108.57(12) . . ?
O26 C5 C4 111.49(19) . . ?
O26 C5 H5 108.57(12) . . ?
O26 C5 C6 107.14(19) . . ?
H6 C6 C5 106.34(13) . . ?
C34 C6 C5 114.93(18) . . ?
C34 C6 H6 106.34(13) . . ?
O1 C6 C5 110.00(19) . . ?
O1 C6 H6 106.34(11) . . ?
O1 C6 C34 112.28(19) . . ?
H7 C7 C2 109.05(13) . . ?
C8 C7 C2 113.8(2) . . ?
C8 C7 H7 109.05(15) . . ?
F7 C7 C2 106.5(2) . . ?
F7 C7 H7 109.05(13) . . ?
F7 C7 C8 109.2(2) . . ?
H8 C8 C7 117.87(15) . . ?
C9 C8 C7 124.3(3) . . ?
C9 C8 H8 117.87(19) . . ?
H9a C9 C8 120.0 . . ?
H9b C9 C8 120.0 . . ?
H9b C9 H9a 120.0 . . ?
H11b C11 H11a 108.3 . . ?
C12 C11 H11a 109.85(15) . . ?
C12 C11 H11b 109.85(15) . . ?
O10 C11 H11a 109.85(14) . . ?
O10 C11 H11b 109.85(14) . . ?
O10 C11 C12 109.1(2) . . ?
C13 C12 C11 121.3(2) . . ?
C17 C12 C11 119.9(2) . . ?
C17 C12 C13 118.7(2) . . ?
H13 C13 C12 119.60(15) . . ?
C14 C13 C12 120.8(3) . . ?
C14 C13 H13 119.60(17) . . ?
H14 C14 C13 120.07(17) . . ?
C15 C14 C13 119.9(3) . . ?
C15 C14 H14 120.07(18) . . ?
H15 C15 C14 119.98(18) . . ?
C16 C15 C14 120.0(3) . . ?
C16 C15 H15 119.98(17) . . ?
H16 C16 C15 120.10(17) . . ?
C17 C16 C15 119.8(3) . . ?
C17 C16 H16 120.10(17) . . ?
C16 C17 C12 120.8(3) . . ?
H17 C17 C12 119.59(17) . . ?
H17 C17 C16 119.59(17) . . ?
H19b C19 H19a 108.1 . . ?
C20 C19 H19a 109.60(15) . . ?
C20 C19 H19b 109.60(14) . . ?
O18 C19 H19a 109.60(15) . . ?
O18 C19 H19b 109.60(14) . . ?
O18 C19 C20 110.3(2) . . ?
C21 C20 C19 123.0(2) . . ?
C25 C20 C19 118.2(2) . . ?
C25 C20 C21 118.8(2) . . ?
H21 C21 C20 119.69(15) . . ?
C22 C21 C20 120.6(3) . . ?
C22 C21 H21 119.69(17) . . ?
H22 C22 C21 120.12(17) . . ?
C23 C22 C21 119.8(3) . . ?
C23 C22 H22 120.12(18) . . ?
H23 C23 C22 119.96(18) . . ?
C24 C23 C22 120.1(3) . . ?
C24 C23 H23 119.96(18) . . ?
H24 C24 C23 120.07(18) . . ?
C25 C24 C23 119.9(3) . . ?
C25 C24 H24 120.07(18) . . ?
C24 C25 C20 120.9(3) . . ?
H25 C25 C20 119.57(16) . . ?
H25 C25 C24 119.57(18) . . ?
H27b C27 H27a 108.4 . . ?
C28 C27 H27a 109.98(15) . . ?
C28 C27 H27b 109.98(14) . . ?
O26 C27 H27a 109.98(14) . . ?
O26 C27 H27b 109.98(14) . . ?
O26 C27 C28 108.58(19) . . ?
C29 C28 C27 121.1(2) . . ?
C33 C28 C27 119.7(2) . . ?
C33 C28 C29 119.1(2) . . ?
H29 C29 C28 120.04(15) . . ?
C30 C29 C28 119.9(3) . . ?
C30 C29 H29 120.04(18) . . ?
H30 C30 C29 119.69(18) . . ?
C31 C30 C29 120.6(3) . . ?
C31 C30 H30 119.69(17) . . ?
H31 C31 C30 120.21(17) . . ?
C32 C31 C30 119.6(2) . . ?
C32 C31 H31 120.21(16) . . ?
H32 C32 C31 120.15(16) . . ?
C33 C32 C31 119.7(2) . . ?
C33 C32 H32 120.15(16) . . ?
C32 C33 C28 121.0(2) . . ?
H33 C33 C28 119.49(15) . . ?
H33 C33 C32 119.49(16) . . ?
H34a C34 C6 110.37(13) . . ?
H34b C34 C6 110.37(12) . . ?
H34b C34 H34a 108.6 . . ?
O35 C34 C6 106.79(18) . . ?
O35 C34 H34a 110.37(12) . . ?
O35 C34 H34b 110.37(12) . . ?
H36b C36 H36a 107.8 . . ?
C37 C36 H36a 109.01(13) . . ?
C37 C36 H36b 109.01(12) . . ?
O35 C36 H36a 109.01(12) . . ?
O35 C36 H36b 109.01(12) . . ?
O35 C36 C37 112.87(19) . . ?
C38 C37 C36 121.3(2) . . ?
C42 C37 C36 119.5(2) . . ?
C42 C37 C38 119.1(2) . . ?
H38 C38 C37 119.78(15) . . ?
C39 C38 C37 120.4(2) . . ?
C39 C38 H38 119.78(16) . . ?
H39 C39 C38 119.89(16) . . ?
C40 C39 C38 120.2(3) . . ?
C40 C39 H39 119.89(16) . . ?
H40 C40 C39 119.98(16) . . ?
C41 C40 C39 120.0(3) . . ?
C41 C40 H40 119.98(16) . . ?
H41 C41 C40 119.98(16) . . ?
C42 C41 C40 120.0(2) . . ?
C42 C41 H41 119.98(15) . . ?
C41 C42 C37 120.1(2) . . ?
H42 C42 C37 119.94(15) . . ?
H42 C42 C41 119.94(15) . . ?
C6 O1 C2 114.43(17) . . ?
C11 O10 C3 113.80(19) . . ?
C19 O18 C4 114.01(19) . . ?
C27 O26 C5 112.84(18) . . ?
C36 O35 C34 111.71(18) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_chemical_name_systematic        
;
3-?-(2?, 3?, 4?, 6?-?-Tetra-?-O-?-benzyl-?-α-?-D-?- galactopyranosyl)-?-3-?-R-?-fluoropropene
;
_chemical_name_common            'Fluoroalkene 11'
_chemical_melting_point          370
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: diethyl ether/methanol'
_chemical_compound_source        N/A
