# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_xzj027
_database_code_depnum_ccdc_archive 'CCDC 2207796'
loop_
_audit_author_name
_audit_author_address
'Yuqiao Zhou'
;College of Chemistry, Sichuan University, Chengdu, China
China
;
_audit_update_record             
;
2022-09-16 deposited with the CCDC.	2023-07-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H33 N O6 Si'
_chemical_formula_sum            'C26 H33 N O6 Si'
_chemical_formula_weight         483.62

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'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_space_group_name_Hall           'C 2c 2'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   12.5846(4)
_cell_length_b                   22.3829(7)
_cell_length_c                   20.1826(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     5685.0(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    142(2)
_cell_measurement_reflns_used    9826
_cell_measurement_theta_min      4.03
_cell_measurement_theta_max      68.27

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.130
_exptl_crystal_F_000             2064
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.266
_exptl_crystal_size_mid          0.228
_exptl_crystal_size_min          0.168
_exptl_absorpt_coefficient_mu    1.031
_shelx_estimated_absorpt_T_min   0.771
_shelx_estimated_absorpt_T_max   0.846
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.7661
_exptl_absorpt_correction_T_max  0.9283
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      142(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture Photon II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            36480
_diffrn_reflns_av_unetI/netI     0.0272
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.950
_diffrn_reflns_theta_max         68.349
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5225
_reflns_number_gt                5021
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.808
_reflns_Friedel_fraction_max     0.997
_reflns_Friedel_fraction_full    1.000

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 Structure factors included contributions from the .fab file. 
  
 _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. 
;

_computing_data_collection       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0361P)²+0.6456P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
; 
 Flack x determined using 2198 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   0.038(10)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         5225
_refine_ls_number_parameters     318
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0268
_refine_ls_R_factor_gt           0.0252
_refine_ls_wR_factor_ref         0.0644
_refine_ls_wR_factor_gt          0.0630
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Si Si 0.31234(4) 0.23341(2) 0.50920(2) 0.02849(12) Uani 1 1 d . . . . .
O1 O 0.56224(10) 0.35959(6) 0.64889(6) 0.0279(3) Uani 1 1 d . . . . .
O2 O 0.32057(11) 0.28898(6) 0.62705(6) 0.0295(3) Uani 1 1 d D . . . .
H2O H 0.333(2) 0.2878(12) 0.6669(11) 0.051(8) Uiso 1 1 d D . . . .
O3 O 0.37775(11) 0.18348(6) 0.68424(6) 0.0324(3) Uani 1 1 d . . . . .
O4 O 0.45560(11) 0.15289(6) 0.58880(6) 0.0325(3) Uani 1 1 d . . . . .
O5 O 0.66880(12) 0.58950(6) 0.82495(7) 0.0345(3) Uani 1 1 d . . . . .
O6 O 0.68762(13) 0.49358(6) 0.89746(6) 0.0397(3) Uani 1 1 d . . . . .
N N 0.63545(13) 0.31254(7) 0.73479(7) 0.0314(3) Uani 1 1 d . . . . .
C1 C 0.61221(15) 0.36398(9) 0.70870(8) 0.0286(4) Uani 1 1 d . . . . .
C2 C 0.59877(15) 0.27073(9) 0.68908(9) 0.0311(4) Uani 1 1 d . . . . .
H2 H 0.604531 0.228638 0.693895 0.037 Uiso 1 1 calc R U . . .
C3 C 0.55399(15) 0.29872(8) 0.63711(8) 0.0273(4) Uani 1 1 d . . . . .
C4 C 0.49669(15) 0.28011(8) 0.57589(8) 0.0283(4) Uani 1 1 d . . . . .
H4A H 0.541771 0.251748 0.550846 0.034 Uiso 1 1 calc R U . . .
H4B H 0.485066 0.315639 0.547592 0.034 Uiso 1 1 calc R U . . .
C5 C 0.38786(15) 0.25017(8) 0.59042(8) 0.0263(4) Uani 1 1 d . . . . .
C6 C 0.40505(14) 0.19216(8) 0.62809(9) 0.0266(4) Uani 1 1 d . . . . .
C7 C 0.48224(17) 0.09194(9) 0.61150(10) 0.0363(4) Uani 1 1 d . . . . .
C8 C 0.56828(19) 0.09566(10) 0.66297(11) 0.0432(5) Uani 1 1 d . . . . .
H8A H 0.630304 0.116063 0.644258 0.065 Uiso 1 1 calc R U . . .
H8B H 0.588481 0.055272 0.676847 0.065 Uiso 1 1 calc R U . . .
H8C H 0.542159 0.118079 0.701368 0.065 Uiso 1 1 calc R U . . .
C9 C 0.5244(3) 0.06369(11) 0.54846(13) 0.0574(7) Uani 1 1 d . . . . .
H9A H 0.582551 0.088066 0.530843 0.086 Uiso 1 1 calc R U . . .
H9B H 0.467169 0.061332 0.515604 0.086 Uiso 1 1 calc R U . . .
H9C H 0.550584 0.023403 0.558181 0.086 Uiso 1 1 calc R U . . .
C10 C 0.3826(2) 0.05987(10) 0.63540(14) 0.0500(5) Uani 1 1 d . . . . .
H10A H 0.362730 0.075003 0.679244 0.075 Uiso 1 1 calc R U . . .
H10B H 0.396609 0.016870 0.638200 0.075 Uiso 1 1 calc R U . . .
H10C H 0.324436 0.067092 0.604143 0.075 Uiso 1 1 calc R U . . .
C11 C 0.63094(15) 0.42360(8) 0.73537(9) 0.0295(4) Uani 1 1 d . . . . .
C12 C 0.62221(16) 0.47452(9) 0.69698(9) 0.0333(4) Uani 1 1 d . . . . .
H12 H 0.606326 0.471189 0.651112 0.040 Uiso 1 1 calc R U . . .
C13 C 0.63659(16) 0.53064(9) 0.72527(9) 0.0327(4) Uani 1 1 d . . . . .
H13 H 0.631769 0.565330 0.698316 0.039 Uiso 1 1 calc R U . . .
C14 C 0.65788(14) 0.53646(8) 0.79232(9) 0.0292(4) Uani 1 1 d . . . . .
C15 C 0.66752(15) 0.48459(8) 0.83148(9) 0.0299(4) Uani 1 1 d . . . . .
C16 C 0.65517(15) 0.42891(8) 0.80317(9) 0.0301(4) Uani 1 1 d . . . . .
H16 H 0.663056 0.394039 0.829544 0.036 Uiso 1 1 calc R U . . .
C17 C 0.67022(18) 0.64230(9) 0.78528(11) 0.0388(4) Uani 1 1 d . . . . .
H17A H 0.682181 0.677176 0.813677 0.058 Uiso 1 1 calc R U . . .
H17B H 0.601953 0.646534 0.762394 0.058 Uiso 1 1 calc R U . . .
H17C H 0.727502 0.639446 0.752539 0.058 Uiso 1 1 calc R U . . .
C18 C 0.6960(3) 0.44068(10) 0.93672(10) 0.0569(7) Uani 1 1 d . . . . .
H18A H 0.708219 0.451670 0.983101 0.085 Uiso 1 1 calc R U . . .
H18B H 0.755602 0.416434 0.920753 0.085 Uiso 1 1 calc R U . . .
H18C H 0.630038 0.417650 0.933227 0.085 Uiso 1 1 calc R U . . .
C21 C 0.24971(18) 0.30466(9) 0.48171(10) 0.0395(4) Uani 1 1 d . . . . .
H21A H 0.210311 0.297841 0.440513 0.059 Uiso 1 1 calc R U . . .
H21B H 0.305038 0.334698 0.474096 0.059 Uiso 1 1 calc R U . . .
H21C H 0.200851 0.318913 0.516054 0.059 Uiso 1 1 calc R U . . .
C22 C 0.40176(19) 0.20558(11) 0.44263(10) 0.0439(5) Uani 1 1 d . . . . .
H22A H 0.360297 0.198264 0.402335 0.066 Uiso 1 1 calc R U . . .
H22B H 0.435449 0.168294 0.456986 0.066 Uiso 1 1 calc R U . . .
H22C H 0.456637 0.235533 0.433486 0.066 Uiso 1 1 calc R U . . .
C23 C 0.20791(15) 0.17619(8) 0.52920(9) 0.0302(4) Uani 1 1 d . . . . .
C24 C 0.13900(17) 0.18473(10) 0.58260(10) 0.0363(4) Uani 1 1 d . . . . .
H24 H 0.146937 0.219039 0.609863 0.044 Uiso 1 1 calc R U . . .
C25 C 0.05895(19) 0.14379(10) 0.59648(10) 0.0421(5) Uani 1 1 d . . . . .
H25 H 0.012913 0.150426 0.633052 0.051 Uiso 1 1 calc R U . . .
C26 C 0.0458(2) 0.09365(10) 0.55767(12) 0.0480(6) Uani 1 1 d . . . . .
H26 H -0.009426 0.065970 0.567097 0.058 Uiso 1 1 calc R U . . .
C27 C 0.1140(2) 0.08403(9) 0.50466(11) 0.0480(5) Uani 1 1 d . . . . .
H27 H 0.105864 0.049486 0.477786 0.058 Uiso 1 1 calc R U . . .
C28 C 0.19412(18) 0.12490(9) 0.49087(10) 0.0371(4) Uani 1 1 d . . . . .
H28 H 0.240496 0.117757 0.454581 0.044 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
Si C22 1.860(2) . ?
Si C21 1.863(2) . ?
Si C23 1.8790(19) . ?
Si C5 1.9316(17) . ?
O1 C1 1.365(2) . ?
O1 C3 1.387(2) . ?
O2 C5 1.421(2) . ?
O3 C6 1.200(2) . ?
O4 C6 1.344(2) . ?
O4 C7 1.478(2) . ?
O5 C14 1.364(2) . ?
O5 C17 1.428(2) . ?
O6 C15 1.370(2) . ?
O6 C18 1.429(3) . ?
N C1 1.299(3) . ?
N C2 1.393(2) . ?
C1 C11 1.458(3) . ?
C2 C3 1.345(3) . ?
C3 C4 1.490(2) . ?
C4 C5 1.553(3) . ?
C5 C6 1.520(2) . ?
C7 C8 1.503(3) . ?
C7 C9 1.517(3) . ?
C7 C10 1.523(3) . ?
C11 C12 1.383(3) . ?
C11 C16 1.407(3) . ?
C12 C13 1.391(3) . ?
C13 C14 1.386(3) . ?
C14 C15 1.410(3) . ?
C15 C16 1.380(3) . ?
C23 C28 1.395(3) . ?
C23 C24 1.396(3) . ?
C24 C25 1.390(3) . ?
C25 C26 1.379(4) . ?
C26 C27 1.389(4) . ?
C27 C28 1.390(3) . ?

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
C22 Si C21 109.11(11) . . ?
C22 Si C23 110.50(10) . . ?
C21 Si C23 110.58(9) . . ?
C22 Si C5 112.36(9) . . ?
C21 Si C5 107.13(8) . . ?
C23 Si C5 107.11(8) . . ?
C1 O1 C3 104.88(14) . . ?
C6 O4 C7 121.90(14) . . ?
C14 O5 C17 116.80(15) . . ?
C15 O6 C18 115.52(15) . . ?
C1 N C2 104.62(15) . . ?
N C1 O1 113.48(16) . . ?
N C1 C11 128.68(16) . . ?
O1 C1 C11 117.83(16) . . ?
C3 C2 N 110.03(17) . . ?
C2 C3 O1 107.00(15) . . ?
C2 C3 C4 135.98(17) . . ?
O1 C3 C4 116.93(15) . . ?
C3 C4 C5 113.00(14) . . ?
O2 C5 C6 110.29(14) . . ?
O2 C5 C4 111.12(14) . . ?
C6 C5 C4 109.73(15) . . ?
O2 C5 Si 105.49(12) . . ?
C6 C5 Si 109.18(11) . . ?
C4 C5 Si 110.95(11) . . ?
O3 C6 O4 125.93(17) . . ?
O3 C6 C5 124.74(16) . . ?
O4 C6 C5 109.33(14) . . ?
O4 C7 C8 109.06(16) . . ?
O4 C7 C9 101.78(17) . . ?
C8 C7 C9 110.6(2) . . ?
O4 C7 C10 110.28(17) . . ?
C8 C7 C10 113.59(19) . . ?
C9 C7 C10 110.9(2) . . ?
C12 C11 C16 119.51(17) . . ?
C12 C11 C1 122.33(16) . . ?
C16 C11 C1 118.12(16) . . ?
C11 C12 C13 120.26(17) . . ?
C14 C13 C12 120.72(17) . . ?
O5 C14 C13 124.94(17) . . ?
O5 C14 C15 115.92(15) . . ?
C13 C14 C15 119.12(17) . . ?
O6 C15 C16 123.77(17) . . ?
O6 C15 C14 116.09(16) . . ?
C16 C15 C14 120.13(16) . . ?
C15 C16 C11 120.23(17) . . ?
C28 C23 C24 117.60(18) . . ?
C28 C23 Si 121.92(15) . . ?
C24 C23 Si 120.46(15) . . ?
C25 C24 C23 121.0(2) . . ?
C26 C25 C24 120.6(2) . . ?
C25 C26 C27 119.3(2) . . ?
C26 C27 C28 120.1(2) . . ?
C27 C28 C23 121.4(2) . . ?

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
C2 N C1 O1 0.2(2) . . . . ?
C2 N C1 C11 179.11(19) . . . . ?
C3 O1 C1 N 0.0(2) . . . . ?
C3 O1 C1 C11 -179.00(16) . . . . ?
C1 N C2 C3 -0.4(2) . . . . ?
N C2 C3 O1 0.4(2) . . . . ?
N C2 C3 C4 -175.9(2) . . . . ?
C1 O1 C3 C2 -0.26(19) . . . . ?
C1 O1 C3 C4 176.86(16) . . . . ?
C2 C3 C4 C5 66.1(3) . . . . ?
O1 C3 C4 C5 -109.99(17) . . . . ?
C3 C4 C5 O2 58.01(19) . . . . ?
C3 C4 C5 C6 -64.23(19) . . . . ?
C3 C4 C5 Si 175.04(13) . . . . ?
C7 O4 C6 O3 1.1(3) . . . . ?
C7 O4 C6 C5 -179.21(15) . . . . ?
O2 C5 C6 O3 -9.2(2) . . . . ?
C4 C5 C6 O3 113.50(19) . . . . ?
Si C5 C6 O3 -124.71(17) . . . . ?
O2 C5 C6 O4 171.08(14) . . . . ?
C4 C5 C6 O4 -66.19(17) . . . . ?
Si C5 C6 O4 55.60(16) . . . . ?
C6 O4 C7 C8 -69.9(2) . . . . ?
C6 O4 C7 C9 173.23(19) . . . . ?
C6 O4 C7 C10 55.5(2) . . . . ?
N C1 C11 C12 166.43(19) . . . . ?
O1 C1 C11 C12 -14.7(3) . . . . ?
N C1 C11 C16 -15.8(3) . . . . ?
O1 C1 C11 C16 163.09(16) . . . . ?
C16 C11 C12 C13 -0.4(3) . . . . ?
C1 C11 C12 C13 177.37(19) . . . . ?
C11 C12 C13 C14 -1.2(3) . . . . ?
C17 O5 C14 C13 -7.4(3) . . . . ?
C17 O5 C14 C15 173.76(17) . . . . ?
C12 C13 C14 O5 -177.16(19) . . . . ?
C12 C13 C14 C15 1.6(3) . . . . ?
C18 O6 C15 C16 0.4(3) . . . . ?
C18 O6 C15 C14 179.3(2) . . . . ?
O5 C14 C15 O6 -0.6(3) . . . . ?
C13 C14 C15 O6 -179.42(18) . . . . ?
O5 C14 C15 C16 178.47(16) . . . . ?
C13 C14 C15 C16 -0.4(3) . . . . ?
O6 C15 C16 C11 177.75(18) . . . . ?
C14 C15 C16 C11 -1.2(3) . . . . ?
C12 C11 C16 C15 1.6(3) . . . . ?
C1 C11 C16 C15 -176.27(18) . . . . ?
C22 Si C23 C28 -8.67(18) . . . . ?
C21 Si C23 C28 112.23(16) . . . . ?
C5 Si C23 C28 -131.36(15) . . . . ?
C22 Si C23 C24 173.09(16) . . . . ?
C21 Si C23 C24 -66.01(17) . . . . ?
C5 Si C23 C24 50.40(17) . . . . ?
C28 C23 C24 C25 -0.6(3) . . . . ?
Si C23 C24 C25 177.67(16) . . . . ?
C23 C24 C25 C26 0.0(3) . . . . ?
C24 C25 C26 C27 0.6(3) . . . . ?
C25 C26 C27 C28 -0.4(3) . . . . ?
C26 C27 C28 C23 -0.3(3) . . . . ?
C24 C23 C28 C27 0.8(3) . . . . ?
Si C23 C28 C27 -177.51(16) . . . . ?

_refine_diff_density_max         0.130
_refine_diff_density_min         -0.131
_refine_diff_density_rms         0.027



_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: PE'
