# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_ryj030193
_database_code_depnum_ccdc_archive 'CCDC 1449766'
_audit_update_record             
;
2016-01-25 deposited with the CCDC.
2016-04-15 downloaded from the CCDC.
;
_audit_creation_date             2015-04-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3151 for OlexSys, GUI svn.r4998)
;
_shelxl_version_number           2014/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C16 H28 O3'
_chemical_formula_sum            'C16 H28 O3'
_chemical_formula_weight         268.38
_chemical_absolute_configuration ad
_chemical_melting_point          ?
_chemical_oxdiff_formula         'c15 h28 o3'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   6.67202(7)
_cell_length_b                   12.80551(14)
_cell_length_c                   18.3291(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1566.02(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    4478
_cell_measurement_temperature    223.00(10)
_cell_measurement_theta_max      69.3470
_cell_measurement_theta_min      5.9250
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.605
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.80883
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.138
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0147
_diffrn_reflns_av_unetI/netI     0.0169
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            5568
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         69.232
_diffrn_reflns_theta_min         4.212
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      223.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.3048
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega -118.00  -72.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -35.3416 -128.0000   74.0000 46

#__ type_ start__ end____ width___ exp.time_
  2 omega -124.00  -79.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -35.3416  -99.0000   60.0000 45

#__ type_ start__ end____ width___ exp.time_
  3 omega -124.00  -79.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -35.3416  -99.0000 -180.0000 45

#__ type_ start__ end____ width___ exp.time_
  4 omega -124.00  -79.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -35.3416  -99.0000 -150.0000 45

#__ type_ start__ end____ width___ exp.time_
  5 omega -124.00  -79.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -      -35.3416  -99.0000    0.0000 45

#__ type_ start__ end____ width___ exp.time_
  6 omega   55.00  130.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       35.3416 -178.0000 -120.0000 75

#__ type_ start__ end____ width___ exp.time_
  7 omega   57.00  132.00   1.0000    1.0000
omega____ theta____ kappa____ phi______ frames
    -       35.3416  178.0000 -180.0000 75

#__ type_ start__ end____ width___ exp.time_
  8 omega   68.00  178.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      104.0077   45.0000   60.0000 110

#__ type_ start__ end____ width___ exp.time_
  9 omega   18.00   71.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      104.0077  -30.0000  150.0000 53

#__ type_ start__ end____ width___ exp.time_
 10 omega   42.00   93.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      104.0077  -45.0000   90.0000 51

#__ type_ start__ end____ width___ exp.time_
 11 omega   19.00   53.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      104.0077  -30.0000 -180.0000 34

#__ type_ start__ end____ width___ exp.time_
 12 omega   20.00   96.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      104.0077  -45.0000  -90.0000 76

#__ type_ start__ end____ width___ exp.time_
 13 omega   38.00  143.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      104.0077  -77.0000   90.0000 105
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.2001413000
_diffrn_orient_matrix_UB_12      -0.0403201000
_diffrn_orient_matrix_UB_13      -0.0310043000
_diffrn_orient_matrix_UB_21      -0.0842474000
_diffrn_orient_matrix_UB_22      -0.0093128000
_diffrn_orient_matrix_UB_23      0.0779931000
_diffrn_orient_matrix_UB_31      -0.0784981000
_diffrn_orient_matrix_UB_32      0.1129567000
_diffrn_orient_matrix_UB_33      -0.0045546000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.693
_reflns_Friedel_fraction_full    0.989
_reflns_Friedel_fraction_max     0.963
_reflns_number_gt                2805
_reflns_number_total             2867
_reflns_odcompleteness_completeness 99.87
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     64.99
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.155
_refine_diff_density_min         -0.191
_refine_diff_density_rms         0.035
_refine_ls_abs_structure_details 
;
 Flack x determined using 1146 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.05(6)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     179
_refine_ls_number_reflns         2867
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0338
_refine_ls_restrained_S_all      1.031
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0632P)²+0.1045P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0889
_refine_ls_wR_factor_ref         0.0899
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2.a Ternary CH refined with riding coordinates:
 C4(H4), C7(H7), C8(H8)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C5(H5A,H5B), C6(H6A,H6B)
2.c Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C14(H14A,H14B,
 H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C)
2.d Idealised tetrahedral OH refined as rotating group:
 O1(H1)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O -0.01562(18) 0.64271(10) 0.46787(7) 0.0382(3) Uani 1 1 d . . . . .
H1 H -0.0644 0.6734 0.5029 0.057 Uiso 1 1 calc GR . . . .
O2 O 0.3766(2) 0.75846(9) 0.40027(7) 0.0410(3) Uani 1 1 d . . . . .
O3 O 0.43806(19) 0.64460(9) 0.31021(6) 0.0365(3) Uani 1 1 d . . . . .
C1 C 0.3033(2) 0.57567(11) 0.41893(8) 0.0281(3) Uani 1 1 d . . . . .
C2 C 0.4871(2) 0.52233(12) 0.45595(9) 0.0322(3) Uani 1 1 d . . . . .
H2A H 0.5968 0.5716 0.4606 0.039 Uiso 1 1 calc R . . . .
H2B H 0.5323 0.4634 0.4270 0.039 Uiso 1 1 calc R . . . .
C3 C 0.4167(2) 0.48464(12) 0.53314(9) 0.0342(4) Uani 1 1 d . . . . .
C4 C 0.1878(2) 0.50646(12) 0.53114(10) 0.0328(3) Uani 1 1 d . . . . .
H4 H 0.1370 0.5189 0.5805 0.039 Uiso 1 1 calc R . . . .
C5 C 0.0605(3) 0.42349(13) 0.49250(10) 0.0397(4) Uani 1 1 d . . . . .
H5A H -0.0769 0.4478 0.4897 0.048 Uiso 1 1 calc R . . . .
H5B H 0.0616 0.3599 0.5213 0.048 Uiso 1 1 calc R . . . .
C6 C 0.1355(3) 0.39865(14) 0.41518(10) 0.0416(4) Uani 1 1 d . . . . .
H6A H 0.0317 0.3605 0.3895 0.050 Uiso 1 1 calc R . . . .
H6B H 0.2516 0.3534 0.4189 0.050 Uiso 1 1 calc R . . . .
C7 C 0.1928(2) 0.49535(12) 0.36980(10) 0.0332(3) Uani 1 1 d . . . . .
H7 H 0.2902 0.4717 0.3333 0.040 Uiso 1 1 calc R . . . .
C8 C 0.1796(2) 0.60704(12) 0.48618(8) 0.0294(3) Uani 1 1 d . . . . .
H8 H 0.2504 0.6624 0.5126 0.035 Uiso 1 1 calc R . . . .
C9 C 0.0129(3) 0.53807(15) 0.32744(10) 0.0440(4) Uani 1 1 d . . . . .
H9A H -0.0962 0.5504 0.3605 0.066 Uiso 1 1 calc GR . . . .
H9B H -0.0275 0.4882 0.2912 0.066 Uiso 1 1 calc GR . . . .
H9C H 0.0495 0.6024 0.3041 0.066 Uiso 1 1 calc GR . . . .
C10 C 0.5179(3) 0.55041(16) 0.59246(10) 0.0444(4) Uani 1 1 d . . . . .
H10A H 0.6603 0.5401 0.5905 0.067 Uiso 1 1 calc GR . . . .
H10B H 0.4688 0.5295 0.6395 0.067 Uiso 1 1 calc GR . . . .
H10C H 0.4880 0.6229 0.5846 0.067 Uiso 1 1 calc GR . . . .
C11 C 0.4702(3) 0.37004(15) 0.54851(12) 0.0486(5) Uani 1 1 d . . . . .
H11A H 0.4073 0.3261 0.5128 0.073 Uiso 1 1 calc GR . . . .
H11B H 0.4239 0.3511 0.5963 0.073 Uiso 1 1 calc GR . . . .
H11C H 0.6130 0.3613 0.5460 0.073 Uiso 1 1 calc GR . . . .
C12 C 0.3736(2) 0.67061(11) 0.37628(8) 0.0294(3) Uani 1 1 d . . . . .
C13 C 0.5114(3) 0.72455(14) 0.25818(9) 0.0414(4) Uani 1 1 d . . . . .
C14 C 0.3401(4) 0.7955(2) 0.23739(14) 0.0629(6) Uani 1 1 d . . . . .
H14A H 0.2271 0.7542 0.2227 0.094 Uiso 1 1 calc GR . . . .
H14B H 0.3806 0.8397 0.1977 0.094 Uiso 1 1 calc GR . . . .
H14C H 0.3038 0.8379 0.2785 0.094 Uiso 1 1 calc GR . . . .
C15 C 0.5788(5) 0.6567(2) 0.19479(12) 0.0705(7) Uani 1 1 d . . . . .
H15A H 0.6809 0.6093 0.2111 0.106 Uiso 1 1 calc GR . . . .
H15B H 0.6316 0.7002 0.1567 0.106 Uiso 1 1 calc GR . . . .
H15C H 0.4666 0.6177 0.1765 0.106 Uiso 1 1 calc GR . . . .
C16 C 0.6878(3) 0.78353(16) 0.28957(12) 0.0505(5) Uani 1 1 d . . . . .
H16A H 0.6408 0.8334 0.3248 0.076 Uiso 1 1 calc GR . . . .
H16B H 0.7570 0.8194 0.2511 0.076 Uiso 1 1 calc GR . . . .
H16C H 0.7776 0.7353 0.3128 0.076 Uiso 1 1 calc GR . . . .


_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_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 H1 0.8200 . ?
O1 C8 1.4203(19) . ?
O2 C12 1.2080(19) . ?
O3 C12 1.328(2) . ?
O3 C13 1.4823(19) . ?
C1 C2 1.559(2) . ?
C1 C7 1.553(2) . ?
C1 C8 1.537(2) . ?
C1 C12 1.520(2) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 C3 1.567(2) . ?
C3 C4 1.553(2) . ?
C3 C10 1.532(2) . ?
C3 C11 1.536(2) . ?
C4 H4 0.9800 . ?
C4 C5 1.533(2) . ?
C4 C8 1.530(2) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.536(2) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 C7 1.540(2) . ?
C7 H7 0.9800 . ?
C7 C9 1.531(2) . ?
C8 H8 0.9800 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C13 C14 1.509(3) . ?
C13 C15 1.519(3) . ?
C13 C16 1.512(3) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?

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
C8 O1 H1 109.5 . . ?
C12 O3 C13 121.37(12) . . ?
C7 C1 C2 109.61(12) . . ?
C8 C1 C2 100.83(12) . . ?
C8 C1 C7 112.52(12) . . ?
C12 C1 C2 109.37(12) . . ?
C12 C1 C7 112.21(12) . . ?
C12 C1 C8 111.67(12) . . ?
C1 C2 H2A 110.3 . . ?
C1 C2 H2B 110.3 . . ?
C1 C2 C3 106.99(12) . . ?
H2A C2 H2B 108.6 . . ?
C3 C2 H2A 110.3 . . ?
C3 C2 H2B 110.3 . . ?
C4 C3 C2 102.59(13) . . ?
C10 C3 C2 109.83(13) . . ?
C10 C3 C4 110.57(15) . . ?
C10 C3 C11 107.01(15) . . ?
C11 C3 C2 112.96(15) . . ?
C11 C3 C4 113.89(14) . . ?
C3 C4 H4 110.4 . . ?
C5 C4 C3 115.53(14) . . ?
C5 C4 H4 110.4 . . ?
C8 C4 C3 101.52(13) . . ?
C8 C4 H4 110.4 . . ?
C8 C4 C5 108.33(14) . . ?
C4 C5 H5A 109.0 . . ?
C4 C5 H5B 109.0 . . ?
C4 C5 C6 112.89(14) . . ?
H5A C5 H5B 107.8 . . ?
C6 C5 H5A 109.0 . . ?
C6 C5 H5B 109.0 . . ?
C5 C6 H6A 108.7 . . ?
C5 C6 H6B 108.7 . . ?
C5 C6 C7 114.37(14) . . ?
H6A C6 H6B 107.6 . . ?
C7 C6 H6A 108.7 . . ?
C7 C6 H6B 108.7 . . ?
C1 C7 H7 106.5 . . ?
C6 C7 C1 109.69(14) . . ?
C6 C7 H7 106.5 . . ?
C9 C7 C1 115.45(13) . . ?
C9 C7 C6 111.53(15) . . ?
C9 C7 H7 106.5 . . ?
O1 C8 C1 112.77(12) . . ?
O1 C8 C4 115.53(13) . . ?
O1 C8 H8 109.0 . . ?
C1 C8 H8 109.0 . . ?
C4 C8 C1 101.10(12) . . ?
C4 C8 H8 109.0 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C3 C10 H10A 109.5 . . ?
C3 C10 H10B 109.5 . . ?
C3 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C3 C11 H11A 109.5 . . ?
C3 C11 H11B 109.5 . . ?
C3 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O2 C12 O3 124.07(15) . . ?
O2 C12 C1 124.26(14) . . ?
O3 C12 C1 111.63(12) . . ?
O3 C13 C14 109.18(16) . . ?
O3 C13 C15 101.23(14) . . ?
O3 C13 C16 110.92(15) . . ?
C14 C13 C15 112.1(2) . . ?
C14 C13 C16 112.62(18) . . ?
C16 C13 C15 110.25(19) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
