# Electronic Supplementary Material (ESI) for RSC Advances.
# 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_I
_database_code_depnum_ccdc_archive 'CCDC 1420253'
_audit_update_record             
;
2015-08-24 deposited with the CCDC.
2015-09-09 downloaded from the CCDC.
;
_chemical_name_systematic        
'Methyl 3-((tert-butyldimethylsilyl)oxy)-6-(1,3-dioxan-2-yl)-2-methoxybenzoate '
_chemical_name_common            'C19 H30 O6 Si'
_chemical_formula_moiety         'C19 H30 O6 Si'
_chemical_formula_sum            'C19 H30 O6 Si'
_chemical_formula_iupac          ?
_chemical_formula_weight         382.52

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.6051(10)
_cell_length_b                   15.8731(11)
_cell_length_c                   8.9463(6)
_cell_angle_alpha                90
_cell_angle_beta                 97.9860(10)
_cell_angle_gamma                90
_cell_volume                     2053.9(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    43509
_cell_measurement_theta_max      34.99
_cell_measurement_theta_min      2.57
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_exptl_crystal_density_diffrn    1.237
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             824

_exptl_absorpt_coefficient_mu    0.145
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/5 (Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.94
_exptl_absorpt_correction_T_max  0.99

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_wavelength     0.71073
_diffrn_detector_area_resol_mean 8.3333
_diffrn_reflns_number            43470
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_av_unetI/netI     0.0270
_diffrn_reflns_theta_min         2.57
_diffrn_reflns_theta_max         34.99
_diffrn_reflns_theta_full        34.99
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       7

_refine_special_details          
;
;

_reflns_number_total             8981
_reflns_number_gt                7048
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0587
_refine_ls_R_factor_gt           0.0417
_refine_ls_wR_factor_gt          0.1146
_refine_ls_wR_factor_ref         0.1274
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.040
_refine_ls_number_reflns         8981
_refine_ls_number_parameters     242
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0686P)²+0.6167P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.455
_refine_diff_density_min         -0.380
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'Bruker Instrument Service v2014.11.0.1'
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si Si1 0.24599(2) 0.55278(2) -0.10763(3) 0.01442(6) Uani d . . . 1 . .
O O5 0.16996(5) 0.28037(4) 0.46314(8) 0.01610(13) Uani d . . . 1 . .
O O1 0.25353(5) 0.58771(4) 0.07146(8) 0.01524(12) Uani d . . . 1 . .
O O6 0.05288(5) 0.37018(5) 0.51831(9) 0.01820(13) Uani d . . . 1 . .
O O2 0.38390(5) 0.47833(5) 0.23042(8) 0.01689(13) Uani d . . . 1 . .
O O4 0.35932(5) 0.30512(5) 0.33637(8) 0.01724(13) Uani d . . . 1 . .
O O3 0.37295(5) 0.36659(5) 0.56494(8) 0.02018(14) Uani d . . . 1 . .
C C7 0.29371(6) 0.48000(6) 0.25846(10) 0.01330(14) Uani d . . . 1 . .
C C6 0.26638(6) 0.42304(6) 0.36197(10) 0.01257(14) Uani d . . . 1 . .
C C12 0.14820(6) 0.36182(6) 0.51080(10) 0.01379(14) Uani d . . . 1 . .
H H12 0.1838 0.3733 0.6125 0.017 Uiso calc U . R 1 . .
C C11 0.17615(6) 0.42430(6) 0.39854(10) 0.01322(14) Uani d . . . 1 . .
C C4 0.13991(6) 0.53816(6) 0.22054(11) 0.01619(16) Uani d . . . 1 . .
H H4 0.0963 0.5773 0.1722 0.019 Uiso calc U . R 1 . .
C C10 0.33790(6) 0.36241(6) 0.43457(10) 0.01379(15) Uani d . . . 1 . .
C C3 0.22887(6) 0.53592(6) 0.18182(10) 0.01386(14) Uani d . . . 1 . .
C C5 0.11409(6) 0.48364(6) 0.32943(11) 0.01554(15) Uani d . . . 1 . .
H H5 0.0536 0.487 0.3567 0.019 Uiso calc U . R 1 . .
C C14 0.04978(7) 0.22334(6) 0.59477(12) 0.01968(17) Uani d . . . 1 . .
H H14A 0.0107 0.2041 0.5017 0.024 Uiso calc U . R 1 . .
H H14B 0.0381 0.186 0.6788 0.024 Uiso calc U . R 1 . .
C C15 0.15112(7) 0.21910(6) 0.57383(12) 0.01973(17) Uani d . . . 1 . .
H H15A 0.1903 0.2306 0.6711 0.024 Uiso calc U . R 1 . .
H H15B 0.166 0.1619 0.5401 0.024 Uiso calc U . R 1 . .
C C13 0.02573(7) 0.31339(7) 0.62938(13) 0.02112(18) Uani d . . . 1 . .
H H13A -0.0417 0.3181 0.6309 0.025 Uiso calc U . R 1 . .
H H13B 0.0575 0.3292 0.7305 0.025 Uiso calc U . R 1 . .
C C9 0.43147(7) 0.24715(7) 0.39556(13) 0.02237(19) Uani d . . . 1 . .
H H9A 0.4889 0.2784 0.4265 0.034 Uiso calc U . R 1 . .
H H9B 0.4413 0.2062 0.3174 0.034 Uiso calc U . R 1 . .
H H9C 0.4133 0.2175 0.483 0.034 Uiso calc U . R 1 . .
C C2 0.12409(7) 0.52194(7) -0.17267(14) 0.0236(2) Uani d . . . 1 . .
H H2A 0.1082 0.4725 -0.1158 0.035 Uiso calc U . R 1 . .
H H2B 0.1169 0.5083 -0.2805 0.035 Uiso calc U . R 1 . .
H H2C 0.0829 0.5687 -0.1559 0.035 Uiso calc U . R 1 . .
C C1 0.32269(8) 0.46040(7) -0.11494(12) 0.02107(18) Uani d . . . 1 . .
H H1A 0.3861 0.4758 -0.0735 0.032 Uiso calc U . R 1 . .
H H1B 0.321 0.4421 -0.2199 0.032 Uiso calc U . R 1 . .
H H1C 0.3015 0.4143 -0.0553 0.032 Uiso calc U . R 1 . .
C C8 0.43616(8) 0.55076(8) 0.28724(15) 0.0275(2) Uani d . . . 1 . .
H H8A 0.4078 0.6017 0.2391 0.041 Uiso calc U . R 1 . .
H H8B 0.4997 0.5456 0.2648 0.041 Uiso calc U . R 1 . .
H H8C 0.4367 0.5545 0.3967 0.041 Uiso calc U . R 1 . .
C C19 0.28203(8) 0.64535(6) -0.21676(11) 0.02011(18) Uani d . . . 1 . .
C C18 0.37534(9) 0.67900(8) -0.14004(15) 0.0300(2) Uani d . . . 1 . .
H H18A 0.3935 0.7279 -0.1961 0.045 Uiso calc U . R 1 . .
H H18B 0.4223 0.6348 -0.1387 0.045 Uiso calc U . R 1 . .
H H18C 0.3698 0.6958 -0.0363 0.045 Uiso calc U . R 1 . .
C C16 0.20967(10) 0.71591(7) -0.22302(15) 0.0298(2) Uani d . . . 1 . .
H H16A 0.2002 0.7313 -0.1202 0.045 Uiso calc U . R 1 . .
H H16B 0.1512 0.6963 -0.2792 0.045 Uiso calc U . R 1 . .
H H16C 0.2315 0.7652 -0.2737 0.045 Uiso calc U . R 1 . .
C C17 0.29177(11) 0.61672(9) -0.37847(13) 0.0319(3) Uani d . . . 1 . .
H H17A 0.2326 0.5942 -0.4271 0.048 Uiso calc U . R 1 . .
H H17B 0.3393 0.5729 -0.3746 0.048 Uiso calc U . R 1 . .
H H17C 0.3096 0.6649 -0.4365 0.048 Uiso calc U . 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
Si1 O1 . 1.6845(8) ?
Si1 C1 . 1.8520(10) ?
Si1 C2 . 1.8601(11) ?
Si1 C19 . 1.8794(10) ?
O5 C12 . 1.4115(11) ?
O5 C15 . 1.4415(12) ?
O1 C3 . 1.3708(11) ?
O6 C12 . 1.4092(11) ?
O6 C13 . 1.4376(12) ?
O2 C7 . 1.3749(11) ?
O2 C8 . 1.4335(13) ?
O4 C10 . 1.3316(11) ?
O4 C9 . 1.4431(12) ?
O3 C10 . 1.2086(11) ?
C7 C6 . 1.3918(12) ?
C7 C3 . 1.4051(13) ?
C6 C11 . 1.4014(12) ?
C6 C10 . 1.5003(12) ?
C12 C11 . 1.5075(13) ?
C12 H12 . 1.0 ?
C11 C5 . 1.3912(13) ?
C4 C3 . 1.3908(13) ?
C4 C5 . 1.3936(13) ?
C4 H4 . 0.95 ?
C5 H5 . 0.95 ?
C14 C13 . 1.5141(15) ?
C14 C15 . 1.5190(14) ?
C14 H14A . 0.99 ?
C14 H14B . 0.99 ?
C15 H15A . 0.99 ?
C15 H15B . 0.99 ?
C13 H13A . 0.99 ?
C13 H13B . 0.99 ?
C9 H9A . 0.98 ?
C9 H9B . 0.98 ?
C9 H9C . 0.98 ?
C2 H2A . 0.98 ?
C2 H2B . 0.98 ?
C2 H2C . 0.98 ?
C1 H1A . 0.98 ?
C1 H1B . 0.98 ?
C1 H1C . 0.98 ?
C8 H8A . 0.98 ?
C8 H8B . 0.98 ?
C8 H8C . 0.98 ?
C19 C18 . 1.5342(16) ?
C19 C16 . 1.5356(17) ?
C19 C17 . 1.5417(16) ?
C18 H18A . 0.98 ?
C18 H18B . 0.98 ?
C18 H18C . 0.98 ?
C16 H16A . 0.98 ?
C16 H16B . 0.98 ?
C16 H16C . 0.98 ?
C17 H17A . 0.98 ?
C17 H17B . 0.98 ?
C17 H17C . 0.98 ?

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
O1 Si1 C1 . . 109.53(4) ?
O1 Si1 C2 . . 108.50(5) ?
C1 Si1 C2 . . 109.75(5) ?
O1 Si1 C19 . . 104.52(4) ?
C1 Si1 C19 . . 112.73(5) ?
C2 Si1 C19 . . 111.60(5) ?
C12 O5 C15 . . 109.75(7) ?
C3 O1 Si1 . . 119.92(6) ?
C12 O6 C13 . . 110.06(7) ?
C7 O2 C8 . . 113.35(8) ?
C10 O4 C9 . . 114.82(8) ?
O2 C7 C6 . . 118.65(8) ?
O2 C7 C3 . . 121.40(8) ?
C6 C7 C3 . . 119.92(8) ?
C7 C6 C11 . . 120.80(8) ?
C7 C6 C10 . . 117.25(8) ?
C11 C6 C10 . . 121.93(8) ?
O6 C12 O5 . . 111.47(7) ?
O6 C12 C11 . . 109.30(7) ?
O5 C12 C11 . . 107.95(7) ?
O6 C12 H12 . . 109.4 ?
O5 C12 H12 . . 109.4 ?
C11 C12 H12 . . 109.4 ?
C5 C11 C6 . . 118.79(8) ?
C5 C11 C12 . . 121.43(8) ?
C6 C11 C12 . . 119.78(8) ?
C3 C4 C5 . . 120.73(8) ?
C3 C4 H4 . . 119.6 ?
C5 C4 H4 . . 119.6 ?
O3 C10 O4 . . 124.57(9) ?
O3 C10 C6 . . 123.96(8) ?
O4 C10 C6 . . 111.45(8) ?
O1 C3 C4 . . 120.80(8) ?
O1 C3 C7 . . 120.23(8) ?
C4 C3 C7 . . 118.97(8) ?
C11 C5 C4 . . 120.55(8) ?
C11 C5 H5 . . 119.7 ?
C4 C5 H5 . . 119.7 ?
C13 C14 C15 . . 108.95(8) ?
C13 C14 H14A . . 109.9 ?
C15 C14 H14A . . 109.9 ?
C13 C14 H14B . . 109.9 ?
C15 C14 H14B . . 109.9 ?
H14A C14 H14B . . 108.3 ?
O5 C15 C14 . . 109.70(8) ?
O5 C15 H15A . . 109.7 ?
C14 C15 H15A . . 109.7 ?
O5 C15 H15B . . 109.7 ?
C14 C15 H15B . . 109.7 ?
H15A C15 H15B . . 108.2 ?
O6 C13 C14 . . 110.89(8) ?
O6 C13 H13A . . 109.5 ?
C14 C13 H13A . . 109.5 ?
O6 C13 H13B . . 109.5 ?
C14 C13 H13B . . 109.5 ?
H13A C13 H13B . . 108.0 ?
O4 C9 H9A . . 109.5 ?
O4 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
O4 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
Si1 C2 H2A . . 109.5 ?
Si1 C2 H2B . . 109.5 ?
H2A C2 H2B . . 109.5 ?
Si1 C2 H2C . . 109.5 ?
H2A C2 H2C . . 109.5 ?
H2B C2 H2C . . 109.5 ?
Si1 C1 H1A . . 109.5 ?
Si1 C1 H1B . . 109.5 ?
H1A C1 H1B . . 109.5 ?
Si1 C1 H1C . . 109.5 ?
H1A C1 H1C . . 109.5 ?
H1B C1 H1C . . 109.5 ?
O2 C8 H8A . . 109.5 ?
O2 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
O2 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
C18 C19 C16 . . 109.05(10) ?
C18 C19 C17 . . 109.29(10) ?
C16 C19 C17 . . 109.49(10) ?
C18 C19 Si1 . . 109.59(8) ?
C16 C19 Si1 . . 110.38(8) ?
C17 C19 Si1 . . 109.03(8) ?
C19 C18 H18A . . 109.5 ?
C19 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
C19 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
C19 C16 H16A . . 109.5 ?
C19 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
C19 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
C19 C17 H17A . . 109.5 ?
C19 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
C19 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?

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 Si1 O1 C3 . . . . -61.05(8) ?
C2 Si1 O1 C3 . . . . 58.73(8) ?
C19 Si1 O1 C3 . . . . 177.93(7) ?
C8 O2 C7 C6 . . . . -110.55(10) ?
C8 O2 C7 C3 . . . . 71.37(12) ?
O2 C7 C6 C11 . . . . 177.64(8) ?
C3 C7 C6 C11 . . . . -4.26(13) ?
O2 C7 C6 C10 . . . . -0.88(12) ?
C3 C7 C6 C10 . . . . 177.23(8) ?
C13 O6 C12 O5 . . . . 63.07(10) ?
C13 O6 C12 C11 . . . . -177.68(8) ?
C15 O5 C12 O6 . . . . -64.50(10) ?
C15 O5 C12 C11 . . . . 175.45(7) ?
C7 C6 C11 C5 . . . . 0.00(13) ?
C10 C6 C11 C5 . . . . 178.44(8) ?
C7 C6 C11 C12 . . . . 179.89(8) ?
C10 C6 C11 C12 . . . . -1.67(13) ?
O6 C12 C11 C5 . . . . 5.32(12) ?
O5 C12 C11 C5 . . . . 126.73(9) ?
O6 C12 C11 C6 . . . . -174.57(8) ?
O5 C12 C11 C6 . . . . -53.15(11) ?
C9 O4 C10 O3 . . . . -1.61(14) ?
C9 O4 C10 C6 . . . . 176.77(8) ?
C7 C6 C10 O3 . . . . 108.04(11) ?
C11 C6 C10 O3 . . . . -70.45(13) ?
C7 C6 C10 O4 . . . . -70.35(10) ?
C11 C6 C10 O4 . . . . 111.15(10) ?
Si1 O1 C3 C4 . . . . -93.86(9) ?
Si1 O1 C3 C7 . . . . 86.61(10) ?
C5 C4 C3 O1 . . . . 177.98(9) ?
C5 C4 C3 C7 . . . . -2.48(14) ?
O2 C7 C3 O1 . . . . 3.05(13) ?
C6 C7 C3 O1 . . . . -175.00(8) ?
O2 C7 C3 C4 . . . . -176.49(8) ?
C6 C7 C3 C4 . . . . 5.46(13) ?
C6 C11 C5 C4 . . . . 3.02(14) ?
C12 C11 C5 C4 . . . . -176.87(9) ?
C3 C4 C5 C11 . . . . -1.77(15) ?
C12 O5 C15 C14 . . . . 59.03(10) ?
C13 C14 C15 O5 . . . . -53.15(11) ?
C12 O6 C13 C14 . . . . -56.86(11) ?
C15 C14 C13 O6 . . . . 52.31(12) ?
O1 Si1 C19 C18 . . . . 52.06(9) ?
C1 Si1 C19 C18 . . . . -66.82(9) ?
C2 Si1 C19 C18 . . . . 169.13(8) ?
O1 Si1 C19 C16 . . . . -68.06(8) ?
C1 Si1 C19 C16 . . . . 173.06(8) ?
C2 Si1 C19 C16 . . . . 49.01(9) ?
O1 Si1 C19 C17 . . . . 171.64(8) ?
C1 Si1 C19 C17 . . . . 52.76(10) ?
C2 Si1 C19 C17 . . . . -71.29(10) ?

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
C9 H9B O3 4_565 0.98 2.61 3.4694(14) 146.6 ?
C8 H8A O1 . 0.98 2.54 3.1233(15) 118.3 ?
C8 H8B O3 3_666 0.98 2.63 3.1966(13) 116.8 ?

