# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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 
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data_cu_200311_aplp_lp153_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2023773'
loop_
_audit_author_name
_audit_author_address
'Alejandro Peixoto de Abreu Lima'
;Facultad de Quimica, Universidad de la Republica
Uruguay
;
_audit_update_record             
;
2020-11-18 deposited with the CCDC.	2020-11-24 downloaded from the CCDC.
;
_audit_creation_date             2020-03-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H29 N5 O5, C H4 O'
_chemical_formula_sum            'C26 H33 N5 O6'
_chemical_formula_weight         511.57
_chemical_absolute_configuration syn
_chemical_melting_point          ?
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'

_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      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 1 21 1'
_space_group_name_Hall           'P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   9.9455(3)
_cell_length_b                   8.2022(3)
_cell_length_c                   15.9136(6)
_cell_angle_alpha                90
_cell_angle_beta                 93.461(2)
_cell_angle_gamma                90
_cell_volume                     1295.78(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9868
_cell_measurement_temperature    298.15
_cell_measurement_theta_max      73.51
_cell_measurement_theta_min      2.78
_shelx_estimated_absorpt_T_max   0.857
_shelx_estimated_absorpt_T_min   0.740
_exptl_absorpt_coefficient_mu    0.779
_exptl_absorpt_correction_T_max  0.7538
_exptl_absorpt_correction_T_min  0.4785
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1193 before and 0.0882 after correction. The Ratio of minimum to maximum transmission is 0.6348. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             544
_exptl_crystal_size_max          0.412
_exptl_crystal_size_mid          0.327
_exptl_crystal_size_min          0.204
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0604
_diffrn_reflns_av_unetI/netI     0.0493
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20945
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         73.877
_diffrn_reflns_theta_min         2.782
_diffrn_ambient_temperature      298.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.858
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.984
_reflns_number_gt                4496
_reflns_number_total             5186
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       'Bruker APEX3 Bruker-AXS, Madison WI'
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.198
_refine_diff_density_min         -0.171
_refine_diff_density_rms         0.042
_refine_ls_abs_structure_details 
;
 Flack x determined using 1863 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.04(12)
_refine_ls_extinction_coef       0.0127(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5186
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0522
_refine_ls_R_factor_gt           0.0442
_refine_ls_restrained_S_all      1.059
_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)+(0.0583P)²+0.2149P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1125
_refine_ls_wR_factor_ref         0.1210
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C12(H11)
2.b Aromatic/amide H refined with riding coordinates:
 N1(H5), C7(H6), C18(H18), C9(H8), C19(H19), C21(H21), C20(H20), C10(H9), C8(H7)
2.c Idealised Me refined as rotating group:
 C3(H2,H4,H3), C14(H16,H17,H15), C25(H29,H28,H27), C24(H24,H26,H25), C13(H12,
 H14,H13), C26(H32,H30,H31)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_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 0.5405(2) 0.5347(3) 0.96657(15) 0.0487(6) Uani 1 1 d . . . . .
H22 H 0.620(5) 0.510(6) 0.731(3) 0.067(13) Uiso 1 1 d . . . . .
O2 O 0.4591(2) 0.6645(3) 0.77918(16) 0.0538(6) Uani 1 1 d . . . . .
H10 H 0.309(5) 0.606(6) 0.719(3) 0.068(12) Uiso 1 1 d . . . . .
O3 O 0.0485(2) 0.6415(3) 0.60397(18) 0.0594(7) Uani 1 1 d . . . . .
N1 N 0.5027(2) 0.8286(3) 0.88916(16) 0.0398(6) Uani 1 1 d . . . . .
H5 H 0.477985 0.904180 0.922361 0.048 Uiso 1 1 calc R . . . .
N5 N 0.7094(3) 0.4714(3) 0.88390(17) 0.0419(6) Uani 1 1 d . . . . .
N3 N 0.2967(2) 0.3414(3) 0.65729(18) 0.0419(6) Uani 1 1 d . . . . .
O4 O 0.4746(2) 0.2201(4) 0.72321(18) 0.0636(7) Uani 1 1 d . . . . .
O5 O 0.8931(3) 0.3709(4) 0.71236(18) 0.0692(8) Uani 1 1 d . . . . .
N2 N 0.2209(3) 0.6485(3) 0.70485(19) 0.0457(7) Uani 1 1 d . . . . .
N4 N 0.6820(3) 0.4755(4) 0.70420(18) 0.0449(6) Uani 1 1 d . . . . .
C6 C 0.1822(3) 0.7716(4) 0.7590(2) 0.0403(6) Uani 1 1 d . . . . .
C1 C 0.6263(3) 0.5790(4) 0.91787(19) 0.0374(6) Uani 1 1 d . . . . .
C4 C 0.4180(3) 0.7695(4) 0.8279(2) 0.0401(6) Uani 1 1 d . . . . .
C11 C 0.1538(3) 0.5883(4) 0.6348(2) 0.0414(7) Uani 1 1 d . . . . .
C17 C 0.6463(3) 0.4289(4) 0.6199(2) 0.0413(7) Uani 1 1 d . . . . .
C22 C 0.8025(3) 0.4441(4) 0.7441(2) 0.0438(7) Uani 1 1 d . . . . .
C5 C 0.2766(3) 0.8322(4) 0.8209(2) 0.0402(6) Uani 1 1 d . . . . .
C12 C 0.2265(3) 0.4459(4) 0.5940(2) 0.0422(7) Uani 1 1 d . . . . .
H11 H 0.294670 0.492693 0.559166 0.051 Uiso 1 1 calc R . . . .
C2 C 0.6380(3) 0.7606(3) 0.8976(2) 0.0392(7) Uani 1 1 d . . . . .
C15 C 0.4291(3) 0.3049(4) 0.6638(2) 0.0425(7) Uani 1 1 d . . . . .
C16 C 0.5212(3) 0.3580(4) 0.5977(2) 0.0416(7) Uani 1 1 d . . . . .
C23 C 0.8225(3) 0.5138(4) 0.8336(2) 0.0436(7) Uani 1 1 d . . . . .
C7 C 0.0506(3) 0.8349(4) 0.7547(2) 0.0501(8) Uani 1 1 d . . . . .
H6 H -0.011773 0.797973 0.713077 0.060 Uiso 1 1 calc R . . . .
C18 C 0.7376(3) 0.4560(5) 0.5585(2) 0.0482(7) Uani 1 1 d . . . . .
H18 H 0.820236 0.504493 0.573076 0.058 Uiso 1 1 calc R . . . .
C9 C 0.1034(4) 1.0078(5) 0.8723(2) 0.0563(9) Uani 1 1 d . . . . .
H8 H 0.077043 1.084845 0.910902 0.068 Uiso 1 1 calc R . . . .
C19 C 0.7060(4) 0.4114(5) 0.4762(3) 0.0546(9) Uani 1 1 d . . . . .
H19 H 0.767900 0.429491 0.435691 0.065 Uiso 1 1 calc R . . . .
C21 C 0.4918(3) 0.3146(5) 0.5140(2) 0.0502(8) Uani 1 1 d . . . . .
H21 H 0.408903 0.267497 0.498677 0.060 Uiso 1 1 calc R . . . .
C3 C 0.7210(3) 0.8455(4) 0.9678(3) 0.0550(9) Uani 1 1 d . . . . .
H2 H 0.811409 0.804009 0.970244 0.082 Uiso 1 1 calc GR . . . .
H4 H 0.681770 0.825612 1.020491 0.082 Uiso 1 1 calc GR . . . .
H3 H 0.722319 0.960662 0.957064 0.082 Uiso 1 1 calc GR . . . .
O6 O 0.6892(3) 0.0056(5) 0.7376(2) 0.0903(11) Uani 1 1 d . . . . .
C20 C 0.5834(4) 0.3400(5) 0.4531(2) 0.0569(9) Uani 1 1 d . . . . .
H20 H 0.562672 0.309516 0.397497 0.068 Uiso 1 1 calc R . . . .
C10 C 0.2347(3) 0.9499(5) 0.8762(2) 0.0521(8) Uani 1 1 d . . . . .
H9 H 0.296359 0.991094 0.917003 0.062 Uiso 1 1 calc R . . . .
C8 C 0.0131(3) 0.9505(5) 0.8110(2) 0.0537(8) Uani 1 1 d . . . . .
H7 H -0.074634 0.990298 0.807578 0.064 Uiso 1 1 calc R . . . .
C14 C 0.2141(4) 0.2647(5) 0.7192(3) 0.0580(9) Uani 1 1 d . . . . .
H16 H 0.122552 0.300958 0.710285 0.087 Uiso 1 1 calc GR . . . .
H17 H 0.247794 0.294514 0.774921 0.087 Uiso 1 1 calc GR . . . .
H15 H 0.217652 0.148382 0.713138 0.087 Uiso 1 1 calc GR . . . .
C25 C 0.6897(4) 0.2982(4) 0.9016(3) 0.0598(9) Uani 1 1 d . . . . .
H29 H 0.595151 0.276078 0.903588 0.090 Uiso 1 1 calc GR . . . .
H28 H 0.734820 0.271110 0.954754 0.090 Uiso 1 1 calc GR . . . .
H27 H 0.726112 0.233948 0.857946 0.090 Uiso 1 1 calc GR . . . .
C24 C 0.9571(3) 0.4612(6) 0.8754(3) 0.0666(11) Uani 1 1 d . . . . .
H24 H 1.028542 0.494631 0.841304 0.100 Uiso 1 1 calc GR . . . .
H26 H 0.958531 0.344709 0.881393 0.100 Uiso 1 1 calc GR . . . .
H25 H 0.969077 0.510972 0.929932 0.100 Uiso 1 1 calc GR . . . .
C13 C 0.1273(4) 0.3522(6) 0.5360(3) 0.0657(11) Uani 1 1 d . . . . .
H12 H 0.089883 0.423794 0.492961 0.099 Uiso 1 1 calc GR . . . .
H14 H 0.056202 0.309799 0.567920 0.099 Uiso 1 1 calc GR . . . .
H13 H 0.172975 0.263657 0.510419 0.099 Uiso 1 1 calc GR . . . .
C26 C 0.7360(5) -0.0100(7) 0.6578(3) 0.0864(16) Uani 1 1 d . . . . .
H32 H 0.668420 0.028130 0.616775 0.130 Uiso 1 1 calc GR . . . .
H30 H 0.755419 -0.122487 0.647120 0.130 Uiso 1 1 calc GR . . . .
H31 H 0.816439 0.053563 0.654083 0.130 Uiso 1 1 calc GR . . . .
H33 H 0.611(7) 0.094(9) 0.734(4) 0.12(2) Uiso 1 1 d . . . . .
H23 H 0.820(3) 0.628(5) 0.825(2) 0.041(9) Uiso 1 1 d . . . . .
H1 H 0.676(4) 0.785(6) 0.840(3) 0.065(12) Uiso 1 1 d . . . . .


_atom_site_solution_primary      dual
_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 C1 1.241(4) . ?
O2 C4 1.245(4) . ?
O3 C11 1.211(4) . ?
N1 H5 0.8600 . ?
N1 C4 1.340(4) . ?
N1 C2 1.456(4) . ?
N5 C1 1.345(4) . ?
N5 C23 1.462(4) . ?
N5 C25 1.463(4) . ?
N3 C12 1.467(4) . ?
N3 C15 1.347(4) . ?
N3 C14 1.463(4) . ?
O4 C15 1.238(4) . ?
O5 C22 1.218(4) . ?
N2 H10 0.95(5) . ?
N2 C6 1.396(4) . ?
N2 C11 1.357(4) . ?
N4 H22 0.82(5) . ?
N4 C17 1.419(4) . ?
N4 C22 1.347(4) . ?
C6 C5 1.410(4) . ?
C6 C7 1.405(4) . ?
C1 C2 1.529(4) . ?
C4 C5 1.495(4) . ?
C11 C12 1.538(4) . ?
C17 C16 1.399(4) . ?
C17 C18 1.391(4) . ?
C22 C23 1.535(5) . ?
C5 C10 1.387(5) . ?
C12 H11 0.9800 . ?
C12 C13 1.519(5) . ?
C2 C3 1.517(5) . ?
C2 H1 1.03(4) . ?
C15 C16 1.500(4) . ?
C16 C21 1.393(5) . ?
C23 C24 1.521(4) . ?
C23 H23 0.94(4) . ?
C7 H6 0.9300 . ?
C7 C8 1.373(5) . ?
C18 H18 0.9300 . ?
C18 C19 1.378(5) . ?
C9 H8 0.9300 . ?
C9 C10 1.388(5) . ?
C9 C8 1.368(6) . ?
C19 H19 0.9300 . ?
C19 C20 1.382(5) . ?
C21 H21 0.9300 . ?
C21 C20 1.385(5) . ?
C3 H2 0.9600 . ?
C3 H4 0.9600 . ?
C3 H3 0.9600 . ?
O6 C26 1.384(6) . ?
O6 H33 1.06(7) . ?
C20 H20 0.9300 . ?
C10 H9 0.9300 . ?
C8 H7 0.9300 . ?
C14 H16 0.9600 . ?
C14 H17 0.9600 . ?
C14 H15 0.9600 . ?
C25 H29 0.9600 . ?
C25 H28 0.9600 . ?
C25 H27 0.9600 . ?
C24 H24 0.9600 . ?
C24 H26 0.9600 . ?
C24 H25 0.9600 . ?
C13 H12 0.9600 . ?
C13 H14 0.9600 . ?
C13 H13 0.9600 . ?
C26 H32 0.9600 . ?
C26 H30 0.9600 . ?
C26 H31 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
C4 N1 H5 121.1 . . ?
C4 N1 C2 117.8(3) . . ?
C2 N1 H5 121.1 . . ?
C1 N5 C23 125.2(3) . . ?
C1 N5 C25 117.8(3) . . ?
C23 N5 C25 116.9(3) . . ?
C15 N3 C12 127.2(3) . . ?
C15 N3 C14 116.0(3) . . ?
C14 N3 C12 116.7(3) . . ?
C6 N2 H10 114(3) . . ?
C11 N2 H10 117(3) . . ?
C11 N2 C6 129.1(3) . . ?
C17 N4 H22 115(3) . . ?
C22 N4 H22 120(3) . . ?
C22 N4 C17 124.0(3) . . ?
N2 C6 C5 119.3(3) . . ?
N2 C6 C7 121.8(3) . . ?
C7 C6 C5 118.9(3) . . ?
O1 C1 N5 121.4(3) . . ?
O1 C1 C2 118.8(3) . . ?
N5 C1 C2 119.8(3) . . ?
O2 C4 N1 119.2(3) . . ?
O2 C4 C5 122.3(3) . . ?
N1 C4 C5 118.5(3) . . ?
O3 C11 N2 124.9(3) . . ?
O3 C11 C12 121.3(3) . . ?
N2 C11 C12 113.8(2) . . ?
C16 C17 N4 121.2(3) . . ?
C18 C17 N4 118.9(3) . . ?
C18 C17 C16 119.8(3) . . ?
O5 C22 N4 124.0(3) . . ?
O5 C22 C23 120.7(3) . . ?
N4 C22 C23 115.3(3) . . ?
C6 C5 C4 121.0(3) . . ?
C10 C5 C6 118.4(3) . . ?
C10 C5 C4 120.6(3) . . ?
N3 C12 C11 111.7(3) . . ?
N3 C12 H11 107.5 . . ?
N3 C12 C13 112.7(3) . . ?
C11 C12 H11 107.5 . . ?
C13 C12 C11 109.7(3) . . ?
C13 C12 H11 107.5 . . ?
N1 C2 C1 108.1(2) . . ?
N1 C2 C3 110.5(3) . . ?
N1 C2 H1 103(2) . . ?
C1 C2 H1 114(3) . . ?
C3 C2 C1 109.7(3) . . ?
C3 C2 H1 110(3) . . ?
N3 C15 C16 121.1(3) . . ?
O4 C15 N3 119.6(3) . . ?
O4 C15 C16 119.2(3) . . ?
C17 C16 C15 121.0(3) . . ?
C21 C16 C17 118.7(3) . . ?
C21 C16 C15 119.6(3) . . ?
N5 C23 C22 111.0(3) . . ?
N5 C23 C24 112.2(3) . . ?
N5 C23 H23 107(2) . . ?
C22 C23 H23 103(2) . . ?
C24 C23 C22 111.2(3) . . ?
C24 C23 H23 111(2) . . ?
C6 C7 H6 119.6 . . ?
C8 C7 C6 120.8(3) . . ?
C8 C7 H6 119.6 . . ?
C17 C18 H18 119.9 . . ?
C19 C18 C17 120.3(3) . . ?
C19 C18 H18 119.9 . . ?
C10 C9 H8 120.3 . . ?
C8 C9 H8 120.3 . . ?
C8 C9 C10 119.3(3) . . ?
C18 C19 H19 119.6 . . ?
C18 C19 C20 120.8(3) . . ?
C20 C19 H19 119.6 . . ?
C16 C21 H21 119.3 . . ?
C20 C21 C16 121.5(3) . . ?
C20 C21 H21 119.3 . . ?
C2 C3 H2 109.5 . . ?
C2 C3 H4 109.5 . . ?
C2 C3 H3 109.5 . . ?
H2 C3 H4 109.5 . . ?
H2 C3 H3 109.5 . . ?
H4 C3 H3 109.5 . . ?
C26 O6 H33 107(4) . . ?
C19 C20 C21 118.9(3) . . ?
C19 C20 H20 120.5 . . ?
C21 C20 H20 120.5 . . ?
C5 C10 C9 121.9(3) . . ?
C5 C10 H9 119.1 . . ?
C9 C10 H9 119.1 . . ?
C7 C8 H7 119.7 . . ?
C9 C8 C7 120.7(3) . . ?
C9 C8 H7 119.7 . . ?
N3 C14 H16 109.5 . . ?
N3 C14 H17 109.5 . . ?
N3 C14 H15 109.5 . . ?
H16 C14 H17 109.5 . . ?
H16 C14 H15 109.5 . . ?
H17 C14 H15 109.5 . . ?
N5 C25 H29 109.5 . . ?
N5 C25 H28 109.5 . . ?
N5 C25 H27 109.5 . . ?
H29 C25 H28 109.5 . . ?
H29 C25 H27 109.5 . . ?
H28 C25 H27 109.5 . . ?
C23 C24 H24 109.5 . . ?
C23 C24 H26 109.5 . . ?
C23 C24 H25 109.5 . . ?
H24 C24 H26 109.5 . . ?
H24 C24 H25 109.5 . . ?
H26 C24 H25 109.5 . . ?
C12 C13 H12 109.5 . . ?
C12 C13 H14 109.5 . . ?
C12 C13 H13 109.5 . . ?
H12 C13 H14 109.5 . . ?
H12 C13 H13 109.5 . . ?
H14 C13 H13 109.5 . . ?
O6 C26 H32 109.5 . . ?
O6 C26 H30 109.5 . . ?
O6 C26 H31 109.5 . . ?
H32 C26 H30 109.5 . . ?
H32 C26 H31 109.5 . . ?
H30 C26 H31 109.5 . . ?

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
N2 H10 O2 0.95(5) 1.79(5) 2.587(3) 139(4) .
O6 H33 O4 1.06(7) 1.71(7) 2.765(4) 173(6) .

_olex2_submission_special_instructions 'No special instructions were received'
