# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_111
_database_code_depnum_ccdc_archive 'CCDC 2401637'
loop_
_audit_author_name
_audit_author_address
'Wenliang Yan'
;Beijing Institute of Technology
China
;
_audit_update_record             
;
2024-11-11 deposited with the CCDC.	2024-12-18 downloaded from the CCDC.
;
_audit_creation_date             2024-11-05
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        Aea2
_chemical_formula_moiety         'C23 H31 Al N2 O4'
_chemical_formula_sum            'C23 H31 Al N2 O4'
_chemical_formula_weight         426.48
_chemical_absolute_configuration ?
_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 0.0033 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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'

_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           41
_space_group_name_H-M_alt        'A e a 2'
_space_group_name_Hall           'A 2 -2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/2, -y+1, z+1/2'
'-x+1/2, y+1, z+1/2'

_cell_length_a                   14.4662(5)
_cell_length_b                   21.9361(7)
_cell_length_c                   15.0299(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     4769.5(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    6507
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.1730
_cell_measurement_theta_min      3.4040
_shelx_estimated_absorpt_T_max   0.973
_shelx_estimated_absorpt_T_min   0.960
_exptl_absorpt_coefficient_mu    0.114
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.188
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_unetI/netI     0.0372
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.823
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14189
_diffrn_reflns_point_group_measured_fraction_full 0.963
_diffrn_reflns_point_group_measured_fraction_max 0.727
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.940
_diffrn_reflns_theta_min         3.261
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.823
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.706
_reflns_Friedel_fraction_full    0.924
_reflns_Friedel_fraction_max     0.624
_reflns_number_gt                4670
_reflns_number_total             5505
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.282
_refine_diff_density_min         -0.221
_refine_diff_density_rms         0.044
_refine_ls_abs_structure_details 
;
 Flack x determined using 1734 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.05(9)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     279
_refine_ls_number_reflns         5505
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0410
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0549P)²+1.4108P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1017
_refine_ls_wR_factor_ref         0.1054
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C00A(H00A), C00H(H00H), C00I(H00I), C00J(H00J), C00L(H00L), C00O(H00O),
 C00Q(H00S)
2.b Idealised Me refined as rotating group:
 C00K(H00B,H00C,H00D), C00M(H00E,H00F,H00G), C00N(H00K,H00M,H00N), C00P(H00P,
 H00Q,H00R), C00R(H00T,H00U,H00V), C00S(H00W,H00X,H00Y), C00T(H00Z,H,HA),
 C00U(H00,HB,HC)
;
_atom_sites_solution_hydrogens   geom
_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
Al01 Al 0.65262(4) 0.34243(3) 0.50188(6) 0.02222(16) Uani 1 1 d . . . . .
O002 O 0.71649(14) 0.18558(9) 0.42577(14) 0.0358(5) Uani 1 1 d . . . . .
O003 O 0.70872(14) 0.49966(9) 0.57226(14) 0.0336(5) Uani 1 1 d . . . . .
O004 O 0.71407(15) 0.40966(9) 0.29185(13) 0.0338(5) Uani 1 1 d . . . . .
O005 O 0.69416(16) 0.27039(10) 0.70891(13) 0.0386(5) Uani 1 1 d . . . . .
N006 N 0.74426(15) 0.40081(8) 0.46737(14) 0.0209(4) Uani 1 1 d . . . . .
N007 N 0.74144(15) 0.28241(8) 0.53702(14) 0.0211(4) Uani 1 1 d . . . . .
C008 C 0.83506(17) 0.39385(11) 0.47185(17) 0.0227(5) Uani 1 1 d . . . . .
C009 C 0.83263(18) 0.28867(11) 0.53635(16) 0.0219(5) Uani 1 1 d . . . . .
C00A C 0.87698(15) 0.34129(11) 0.5050(2) 0.0245(4) Uani 1 1 d . . . . .
H00A H 0.941245 0.341137 0.506528 0.029 Uiso 1 1 calc R U . . .
C00B C 0.68156(19) 0.45740(11) 0.34073(17) 0.0265(6) Uani 1 1 d . . . . .
C00C C 0.70038(17) 0.22676(11) 0.56849(18) 0.0237(5) Uani 1 1 d . . . . .
C00D C 0.67869(19) 0.50397(11) 0.48608(18) 0.0272(6) Uani 1 1 d . . . . .
C00E C 0.6696(2) 0.22274(12) 0.65631(19) 0.0308(6) Uani 1 1 d . . . . .
C00F C 0.70496(17) 0.45553(11) 0.43155(18) 0.0236(5) Uani 1 1 d . . . . .
C00G C 0.68271(17) 0.17878(11) 0.50959(19) 0.0279(5) Uani 1 1 d . . . . .
C00H C 0.6305(2) 0.50573(13) 0.3070(2) 0.0368(7) Uani 1 1 d . . . . .
H00H H 0.615031 0.507017 0.246927 0.044 Uiso 1 1 calc R U . . .
C00I C 0.6274(2) 0.55216(12) 0.4524(2) 0.0352(7) Uani 1 1 d . . . . .
H00I H 0.609607 0.584261 0.489036 0.042 Uiso 1 1 calc R U . . .
C00J C 0.6185(2) 0.17279(14) 0.6844(2) 0.0399(7) Uani 1 1 d . . . . .
H00J H 0.596135 0.170788 0.742376 0.048 Uiso 1 1 calc R U . . .
C00K C 0.8925(2) 0.23795(12) 0.5715(2) 0.0355(7) Uani 1 1 d . . . . .
H00B H 0.873008 0.227389 0.630564 0.053 Uiso 1 1 calc R U . . .
H00C H 0.955789 0.251140 0.572863 0.053 Uiso 1 1 calc R U . . .
H00D H 0.886979 0.202981 0.533459 0.053 Uiso 1 1 calc R U . . .
C00L C 0.6031(2) 0.55156(13) 0.3631(2) 0.0406(7) Uani 1 1 d . . . . .
H00L H 0.567191 0.583186 0.340712 0.049 Uiso 1 1 calc R U . . .
C00M C 0.5799(2) 0.31099(13) 0.4011(2) 0.0365(7) Uani 1 1 d . . . . .
H00E H 0.537746 0.341862 0.381092 0.055 Uiso 1 1 calc R U . . .
H00F H 0.545802 0.275683 0.419689 0.055 Uiso 1 1 calc R U . . .
H00G H 0.620809 0.300081 0.353362 0.055 Uiso 1 1 calc R U . . .
C00N C 0.5799(2) 0.37584(13) 0.6010(2) 0.0339(6) Uani 1 1 d . . . . .
H00K H 0.620615 0.387293 0.648569 0.051 Uiso 1 1 calc R U . . .
H00M H 0.537181 0.345529 0.621834 0.051 Uiso 1 1 calc R U . . .
H00N H 0.546300 0.411017 0.581011 0.051 Uiso 1 1 calc R U . . .
C00O C 0.6334(2) 0.12784(12) 0.5386(2) 0.0361(7) Uani 1 1 d . . . . .
H00O H 0.622297 0.095440 0.500158 0.043 Uiso 1 1 calc R U . . .
C00P C 0.6736(2) 0.39951(15) 0.20650(19) 0.0382(7) Uani 1 1 d . . . . .
H00P H 0.690746 0.432029 0.167054 0.057 Uiso 1 1 calc R U . . .
H00Q H 0.607550 0.398221 0.212136 0.057 Uiso 1 1 calc R U . . .
H00R H 0.695376 0.361459 0.182899 0.057 Uiso 1 1 calc R U . . .
C00Q C 0.6015(2) 0.12614(14) 0.6251(2) 0.0414(8) Uani 1 1 d . . . . .
H00S H 0.567447 0.092570 0.643876 0.050 Uiso 1 1 calc R U . . .
C00R C 0.8964(2) 0.44483(13) 0.4396(3) 0.0408(7) Uani 1 1 d . . . . .
H00T H 0.889962 0.449049 0.376329 0.061 Uiso 1 1 calc R U . . .
H00U H 0.959536 0.435698 0.453887 0.061 Uiso 1 1 calc R U . . .
H00V H 0.878604 0.482220 0.468067 0.061 Uiso 1 1 calc R U . . .
C00S C 0.6486(3) 0.27750(18) 0.7936(2) 0.0509(9) Uani 1 1 d . . . . .
H00W H 0.582880 0.278279 0.784817 0.076 Uiso 1 1 calc R U . . .
H00X H 0.668056 0.314986 0.820708 0.076 Uiso 1 1 calc R U . . .
H00Y H 0.664531 0.243952 0.831647 0.076 Uiso 1 1 calc R U . . .
C00T C 0.6807(3) 0.14615(16) 0.3583(3) 0.0519(9) Uani 1 1 d . . . . .
H00Z H 0.703284 0.158983 0.301199 0.078 Uiso 1 1 calc R U . . .
H H 0.614393 0.147915 0.358630 0.078 Uiso 1 1 calc R U . . .
HA H 0.700397 0.105097 0.369655 0.078 Uiso 1 1 calc R U . . .
C00U C 0.6700(3) 0.54141(15) 0.6354(2) 0.0457(8) Uani 1 1 d . . . . .
H00 H 0.689027 0.582152 0.620908 0.069 Uiso 1 1 calc R U . . .
HB H 0.691347 0.531196 0.694006 0.069 Uiso 1 1 calc R U . . .
HC H 0.603817 0.538853 0.633535 0.069 Uiso 1 1 calc R U . . .


_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
Al01 N006 1.915(2) . ?
Al01 N007 1.914(2) . ?
Al01 C00M 1.969(3) . ?
Al01 C00N 1.966(3) . ?
O002 C00G 1.360(3) . ?
O002 C00T 1.430(4) . ?
O003 C00D 1.369(3) . ?
O003 C00U 1.432(4) . ?
O004 C00B 1.363(3) . ?
O004 C00P 1.427(3) . ?
O005 C00E 1.358(3) . ?
O005 C00S 1.442(4) . ?
N006 C008 1.324(3) . ?
N006 C00F 1.433(3) . ?
N007 C009 1.326(3) . ?
N007 C00C 1.438(3) . ?
C008 C00A 1.395(4) . ?
C008 C00R 1.507(4) . ?
C009 C00A 1.402(4) . ?
C009 C00K 1.506(4) . ?
C00A H00A 0.9300 . ?
C00B C00F 1.407(4) . ?
C00B C00H 1.388(4) . ?
C00C C00E 1.396(4) . ?
C00C C00G 1.399(4) . ?
C00D C00F 1.395(3) . ?
C00D C00I 1.387(4) . ?
C00E C00J 1.388(4) . ?
C00G C00O 1.395(4) . ?
C00H H00H 0.9300 . ?
C00H C00L 1.371(4) . ?
C00I H00I 0.9300 . ?
C00I C00L 1.387(5) . ?
C00J H00J 0.9300 . ?
C00J C00Q 1.380(5) . ?
C00K H00B 0.9600 . ?
C00K H00C 0.9600 . ?
C00K H00D 0.9600 . ?
C00L H00L 0.9300 . ?
C00M H00E 0.9600 . ?
C00M H00F 0.9600 . ?
C00M H00G 0.9600 . ?
C00N H00K 0.9600 . ?
C00N H00M 0.9600 . ?
C00N H00N 0.9600 . ?
C00O H00O 0.9300 . ?
C00O C00Q 1.380(5) . ?
C00P H00P 0.9600 . ?
C00P H00Q 0.9600 . ?
C00P H00R 0.9600 . ?
C00Q H00S 0.9300 . ?
C00R H00T 0.9600 . ?
C00R H00U 0.9600 . ?
C00R H00V 0.9600 . ?
C00S H00W 0.9600 . ?
C00S H00X 0.9600 . ?
C00S H00Y 0.9600 . ?
C00T H00Z 0.9600 . ?
C00T H 0.9600 . ?
C00T HA 0.9600 . ?
C00U H00 0.9600 . ?
C00U HB 0.9600 . ?
C00U HC 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
N006 Al01 C00M 113.31(12) . . ?
N006 Al01 C00N 109.06(11) . . ?
N007 Al01 N006 94.02(8) . . ?
N007 Al01 C00M 109.27(11) . . ?
N007 Al01 C00N 114.00(12) . . ?
C00N Al01 C00M 115.33(12) . . ?
C00G O002 C00T 117.4(2) . . ?
C00D O003 C00U 117.3(2) . . ?
C00B O004 C00P 117.6(2) . . ?
C00E O005 C00S 118.5(3) . . ?
C008 N006 Al01 126.58(16) . . ?
C008 N006 C00F 120.6(2) . . ?
C00F N006 Al01 112.79(16) . . ?
C009 N007 Al01 126.47(16) . . ?
C009 N007 C00C 120.1(2) . . ?
C00C N007 Al01 113.43(16) . . ?
N006 C008 C00A 123.0(2) . . ?
N006 C008 C00R 118.8(2) . . ?
C00A C008 C00R 118.2(2) . . ?
N007 C009 C00A 122.9(2) . . ?
N007 C009 C00K 119.5(2) . . ?
C00A C009 C00K 117.6(2) . . ?
C008 C00A C009 127.0(2) . . ?
C008 C00A H00A 116.5 . . ?
C009 C00A H00A 116.5 . . ?
O004 C00B C00F 114.7(2) . . ?
O004 C00B C00H 125.0(3) . . ?
C00H C00B C00F 120.3(3) . . ?
C00E C00C N007 119.8(2) . . ?
C00E C00C C00G 119.5(2) . . ?
C00G C00C N007 120.4(2) . . ?
O003 C00D C00F 114.6(2) . . ?
O003 C00D C00I 124.6(2) . . ?
C00I C00D C00F 120.8(3) . . ?
O005 C00E C00C 114.8(2) . . ?
O005 C00E C00J 124.7(3) . . ?
C00J C00E C00C 120.5(3) . . ?
C00B C00F N006 119.0(2) . . ?
C00D C00F N006 121.7(2) . . ?
C00D C00F C00B 118.8(2) . . ?
O002 C00G C00C 116.0(2) . . ?
O002 C00G C00O 124.1(3) . . ?
C00O C00G C00C 119.9(3) . . ?
C00B C00H H00H 120.4 . . ?
C00L C00H C00B 119.2(3) . . ?
C00L C00H H00H 120.4 . . ?
C00D C00I H00I 120.6 . . ?
C00D C00I C00L 118.8(3) . . ?
C00L C00I H00I 120.6 . . ?
C00E C00J H00J 120.5 . . ?
C00Q C00J C00E 118.9(3) . . ?
C00Q C00J H00J 120.5 . . ?
C009 C00K H00B 109.5 . . ?
C009 C00K H00C 109.5 . . ?
C009 C00K H00D 109.5 . . ?
H00B C00K H00C 109.5 . . ?
H00B C00K H00D 109.5 . . ?
H00C C00K H00D 109.5 . . ?
C00H C00L C00I 122.0(3) . . ?
C00H C00L H00L 119.0 . . ?
C00I C00L H00L 119.0 . . ?
Al01 C00M H00E 109.5 . . ?
Al01 C00M H00F 109.5 . . ?
Al01 C00M H00G 109.5 . . ?
H00E C00M H00F 109.5 . . ?
H00E C00M H00G 109.5 . . ?
H00F C00M H00G 109.5 . . ?
Al01 C00N H00K 109.5 . . ?
Al01 C00N H00M 109.5 . . ?
Al01 C00N H00N 109.5 . . ?
H00K C00N H00M 109.5 . . ?
H00K C00N H00N 109.5 . . ?
H00M C00N H00N 109.5 . . ?
C00G C00O H00O 120.4 . . ?
C00Q C00O C00G 119.1(3) . . ?
C00Q C00O H00O 120.4 . . ?
O004 C00P H00P 109.5 . . ?
O004 C00P H00Q 109.5 . . ?
O004 C00P H00R 109.5 . . ?
H00P C00P H00Q 109.5 . . ?
H00P C00P H00R 109.5 . . ?
H00Q C00P H00R 109.5 . . ?
C00J C00Q H00S 119.0 . . ?
C00O C00Q C00J 122.0(3) . . ?
C00O C00Q H00S 119.0 . . ?
C008 C00R H00T 109.5 . . ?
C008 C00R H00U 109.5 . . ?
C008 C00R H00V 109.5 . . ?
H00T C00R H00U 109.5 . . ?
H00T C00R H00V 109.5 . . ?
H00U C00R H00V 109.5 . . ?
O005 C00S H00W 109.5 . . ?
O005 C00S H00X 109.5 . . ?
O005 C00S H00Y 109.5 . . ?
H00W C00S H00X 109.5 . . ?
H00W C00S H00Y 109.5 . . ?
H00X C00S H00Y 109.5 . . ?
O002 C00T H00Z 109.5 . . ?
O002 C00T H 109.5 . . ?
O002 C00T HA 109.5 . . ?
H00Z C00T H 109.5 . . ?
H00Z C00T HA 109.5 . . ?
H C00T HA 109.5 . . ?
O003 C00U H00 109.5 . . ?
O003 C00U HB 109.5 . . ?
O003 C00U HC 109.5 . . ?
H00 C00U HB 109.5 . . ?
H00 C00U HC 109.5 . . ?
HB C00U HC 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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Al01 N006 C008 C00A -1.1(4) . . . . ?
Al01 N006 C008 C00R 178.8(2) . . . . ?
Al01 N006 C00F C00B -84.9(2) . . . . ?
Al01 N006 C00F C00D 87.0(3) . . . . ?
Al01 N007 C009 C00A -2.8(4) . . . . ?
Al01 N007 C009 C00K 176.4(2) . . . . ?
Al01 N007 C00C C00E -82.3(3) . . . . ?
Al01 N007 C00C C00G 91.4(2) . . . . ?
O002 C00G C00O C00Q -179.3(3) . . . . ?
O003 C00D C00F N006 11.5(4) . . . . ?
O003 C00D C00F C00B -176.7(2) . . . . ?
O003 C00D C00I C00L 178.6(3) . . . . ?
O004 C00B C00F N006 -11.1(3) . . . . ?
O004 C00B C00F C00D 176.8(2) . . . . ?
O004 C00B C00H C00L -178.9(3) . . . . ?
O005 C00E C00J C00Q -177.4(3) . . . . ?
N006 C008 C00A C009 1.3(5) . . . . ?
N007 C009 C00A C008 0.8(5) . . . . ?
N007 C00C C00E O005 -9.3(4) . . . . ?
N007 C00C C00E C00J 171.0(3) . . . . ?
N007 C00C C00G O002 7.6(3) . . . . ?
N007 C00C C00G C00O -172.7(2) . . . . ?
C008 N006 C00F C00B 93.4(3) . . . . ?
C008 N006 C00F C00D -94.8(3) . . . . ?
C009 N007 C00C C00E 96.3(3) . . . . ?
C009 N007 C00C C00G -90.1(3) . . . . ?
C00B C00H C00L C00I 2.1(5) . . . . ?
C00C N007 C009 C00A 178.8(3) . . . . ?
C00C N007 C009 C00K -2.0(3) . . . . ?
C00C C00E C00J C00Q 2.3(4) . . . . ?
C00C C00G C00O C00Q 1.1(4) . . . . ?
C00D C00I C00L C00H -1.9(5) . . . . ?
C00E C00C C00G O002 -178.7(2) . . . . ?
C00E C00C C00G C00O 1.0(4) . . . . ?
C00E C00J C00Q C00O -0.2(5) . . . . ?
C00F N006 C008 C00A -179.2(3) . . . . ?
C00F N006 C008 C00R 0.7(4) . . . . ?
C00F C00B C00H C00L 0.0(4) . . . . ?
C00F C00D C00I C00L -0.4(4) . . . . ?
C00G C00C C00E O005 177.0(2) . . . . ?
C00G C00C C00E C00J -2.7(4) . . . . ?
C00G C00O C00Q C00J -1.5(5) . . . . ?
C00H C00B C00F N006 169.9(3) . . . . ?
C00H C00B C00F C00D -2.2(4) . . . . ?
C00I C00D C00F N006 -169.4(2) . . . . ?
C00I C00D C00F C00B 2.4(4) . . . . ?
C00K C009 C00A C008 -178.4(3) . . . . ?
C00P O004 C00B C00F 163.6(2) . . . . ?
C00P O004 C00B C00H -17.4(4) . . . . ?
C00R C008 C00A C009 -178.6(3) . . . . ?
C00S O005 C00E C00C 165.9(3) . . . . ?
C00S O005 C00E C00J -14.4(4) . . . . ?
C00T O002 C00G C00C -164.3(3) . . . . ?
C00T O002 C00G C00O 16.0(4) . . . . ?
C00U O003 C00D C00F -168.5(2) . . . . ?
C00U O003 C00D C00I 12.4(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
