# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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_ljj008
_database_code_depnum_ccdc_archive 'CCDC 2182833'
loop_
_audit_author_name
_audit_author_address
'Yuqiao Zhou'
;College of Chemistry, Sichuan University, Chengdu, China
China
;
_audit_update_record             
;
2022-06-29 deposited with the CCDC.	2022-09-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C27 H39 N5 O'
_chemical_formula_sum            'C27 H39 N5 O'
_chemical_formula_weight         449.63

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_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+1/2, -z'

_cell_length_a                   9.0124(2)
_cell_length_b                   14.6098(4)
_cell_length_c                   10.7090(3)
_cell_angle_alpha                90
_cell_angle_beta                 110.2380(10)
_cell_angle_gamma                90
_cell_volume                     1323.00(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9887
_cell_measurement_theta_min      3.02
_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    1.129
_exptl_crystal_F_000             488
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.279
_exptl_crystal_size_mid          0.234
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    0.548
_shelx_estimated_absorpt_T_min   0.862
_shelx_estimated_absorpt_T_max   0.918
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.8603
_exptl_absorpt_correction_T_max  0.9703
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(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            18313
_diffrn_reflns_av_unetI/netI     0.0269
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         4.400
_diffrn_reflns_theta_max         68.264
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.985
_reflns_number_total             4774
_reflns_number_gt                4722
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.910
_reflns_Friedel_fraction_max     0.978
_reflns_Friedel_fraction_full    0.980

_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. 
;

_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-2018/3 (Sheldrick, 2018)'
_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)+(0.0350P)²+0.1269P] 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 2222 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   -0.04(6)
_chemical_absolute_configuration ad
_refine_ls_number_reflns         4774
_refine_ls_number_parameters     313
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0264
_refine_ls_R_factor_gt           0.0261
_refine_ls_wR_factor_ref         0.0669
_refine_ls_wR_factor_gt          0.0666
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_restrained_S_all      1.086
_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
O O -0.02854(13) 0.51326(10) 0.64450(11) 0.0335(3) Uani 1 1 d . . . . .
N1 N 0.56275(15) 0.42185(10) 0.60314(12) 0.0244(3) Uani 1 1 d D . . . .
H1N H 0.660(2) 0.4302(13) 0.653(2) 0.030(5) Uiso 1 1 d D . . . .
N2 N 0.49827(14) 0.54881(9) 0.71602(13) 0.0225(3) Uani 1 1 d . . . . .
N3 N 0.30133(14) 0.46746(8) 0.55811(13) 0.0203(3) Uani 1 1 d . . . . .
N4 N 0.22262(14) 0.52748(9) 0.79148(12) 0.0200(3) Uani 1 1 d D . . . .
H4N H 0.322(2) 0.5387(15) 0.800(2) 0.033(5) Uiso 1 1 d D . . . .
C1 C 0.46055(17) 0.48327(10) 0.63143(14) 0.0203(3) Uani 1 1 d . . . . .
C2 C 0.55185(19) 0.40701(12) 0.46335(16) 0.0273(3) Uani 1 1 d . . . . .
H2 H 0.442059 0.386398 0.411049 0.033 Uiso 1 1 calc R U . . .
C3 C 0.5852(2) 0.49466(14) 0.40163(18) 0.0362(4) Uani 1 1 d . . . . .
H3A H 0.509580 0.541946 0.405057 0.054 Uiso 1 1 calc R U . . .
H3B H 0.574602 0.483213 0.308766 0.054 Uiso 1 1 calc R U . . .
H3C H 0.692970 0.515411 0.451237 0.054 Uiso 1 1 calc R U . . .
C4 C 0.6658(3) 0.33052(15) 0.4633(2) 0.0437(5) Uani 1 1 d . . . . .
H4A H 0.638197 0.275344 0.502519 0.066 Uiso 1 1 calc R U . . .
H4B H 0.773911 0.349220 0.515753 0.066 Uiso 1 1 calc R U . . .
H4C H 0.658945 0.317627 0.371680 0.066 Uiso 1 1 calc R U . . .
C5 C 0.66474(18) 0.57406(11) 0.78091(16) 0.0256(3) Uani 1 1 d . . . . .
H5 H 0.726396 0.556076 0.723051 0.031 Uiso 1 1 calc DR U . . .
C6 C 0.72927(19) 0.52410(15) 0.91347(18) 0.0370(4) Uani 1 1 d . . . . .
H6A H 0.728819 0.458020 0.897587 0.055 Uiso 1 1 calc R U . . .
H6B H 0.662826 0.537639 0.966794 0.055 Uiso 1 1 calc R U . . .
H6C H 0.837742 0.544447 0.961420 0.055 Uiso 1 1 calc R U . . .
C7 C 0.6738(2) 0.67643(14) 0.8015(2) 0.0444(5) Uani 1 1 d . . . . .
H7A H 0.630242 0.707222 0.715127 0.067 Uiso 1 1 calc R U . . .
H7B H 0.784417 0.694658 0.844966 0.067 Uiso 1 1 calc R U . . .
H7C H 0.612640 0.693855 0.857671 0.067 Uiso 1 1 calc R U . . .
C11 C 0.18381(16) 0.53719(10) 0.55648(14) 0.0209(3) Uani 1 1 d . . . . .
H11 H 0.237455 0.598163 0.569749 0.025 Uiso 1 1 calc R U . . .
C12 C 0.05594(18) 0.53677(11) 0.41782(15) 0.0254(3) Uani 1 1 d . . . . .
H12A H -0.037982 0.569979 0.421991 0.030 Uiso 1 1 calc R U . . .
H12B H 0.095999 0.570352 0.355682 0.030 Uiso 1 1 calc R U . . .
C13 C 0.00600(18) 0.44189(12) 0.36305(14) 0.0244(3) Uani 1 1 d . . . . .
C14 C -0.12671(19) 0.43035(14) 0.24823(16) 0.0311(4) Uani 1 1 d . . . . .
H14 H -0.187283 0.482331 0.207089 0.037 Uiso 1 1 calc R U . . .
C15 C -0.1713(2) 0.34481(15) 0.19359(17) 0.0382(4) Uani 1 1 d . . . . .
H15 H -0.260878 0.338427 0.114696 0.046 Uiso 1 1 calc R U . . .
C16 C -0.0857(2) 0.26831(15) 0.25353(19) 0.0395(4) Uani 1 1 d . . . . .
H16 H -0.116969 0.209265 0.216674 0.047 Uiso 1 1 calc R U . . .
C17 C 0.0465(2) 0.27836(13) 0.36805(18) 0.0317(4) Uani 1 1 d . . . . .
H17 H 0.105242 0.225964 0.409775 0.038 Uiso 1 1 calc R U . . .
C18 C 0.09318(18) 0.36515(11) 0.42198(15) 0.0234(3) Uani 1 1 d . . . . .
C19 C 0.23905(18) 0.37435(10) 0.54479(15) 0.0223(3) Uani 1 1 d . . . . .
H19A H 0.212531 0.358517 0.624486 0.027 Uiso 1 1 calc R U . . .
H19B H 0.320927 0.330981 0.539214 0.027 Uiso 1 1 calc R U . . .
C21 C 0.11370(16) 0.52425(11) 0.66829(14) 0.0213(3) Uani 1 1 d . . . . .
C22 C 0.18254(16) 0.52226(11) 0.91243(14) 0.0201(3) Uani 1 1 d . . . . .
H22 H 0.066120 0.532879 0.886271 0.024 Uiso 1 1 calc R U . . .
C23 C 0.26558(18) 0.59857(10) 1.00687(14) 0.0215(3) Uani 1 1 d . . . . .
C24 C 0.1876(2) 0.64819(12) 1.07681(17) 0.0310(4) Uani 1 1 d . . . . .
H24 H 0.079255 0.636725 1.062550 0.037 Uiso 1 1 calc R U . . .
C25 C 0.2688(2) 0.71397(12) 1.16675(18) 0.0381(4) Uani 1 1 d . . . . .
H25 H 0.217857 0.747789 1.216133 0.046 Uiso 1 1 calc R U . . .
C26 C 0.4257(3) 0.72975(13) 1.18367(19) 0.0400(4) Uani 1 1 d . . . . .
H26 H 0.485365 0.774457 1.245000 0.048 Uiso 1 1 calc R U . . .
C27 C 0.4932(2) 0.67900(13) 1.10936(19) 0.0362(4) Uani 1 1 d . . . . .
H27 H 0.600716 0.690548 1.120449 0.043 Uiso 1 1 calc R U . . .
N5 N 0.41684(16) 0.61426(10) 1.02225(14) 0.0273(3) Uani 1 1 d . . . . .
C29 C 0.21866(18) 0.42584(11) 0.97922(15) 0.0236(3) Uani 1 1 d . . . . .
C30 C 0.1887(2) 0.42746(13) 1.11133(17) 0.0315(4) Uani 1 1 d . . . . .
H30A H 0.199963 0.365453 1.148385 0.047 Uiso 1 1 calc R U . . .
H30B H 0.081358 0.449837 1.096303 0.047 Uiso 1 1 calc R U . . .
H30C H 0.265456 0.468113 1.173953 0.047 Uiso 1 1 calc R U . . .
C31 C 0.1057(2) 0.35658(13) 0.88695(19) 0.0373(4) Uani 1 1 d . . . . .
H31A H 0.126534 0.295586 0.927371 0.056 Uiso 1 1 calc R U . . .
H31B H 0.122051 0.355606 0.801108 0.056 Uiso 1 1 calc R U . . .
H31C H -0.003697 0.374175 0.873271 0.056 Uiso 1 1 calc R U . . .
C32 C 0.3897(2) 0.39763(12) 1.00392(19) 0.0317(4) Uani 1 1 d . . . . .
H32A H 0.410335 0.338139 1.048948 0.048 Uiso 1 1 calc R U . . .
H32B H 0.461366 0.443583 1.059973 0.048 Uiso 1 1 calc R U . . .
H32C H 0.406981 0.393055 0.918697 0.048 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
O C21 1.2280(18) . ?
N1 C1 1.3923(19) . ?
N1 C2 1.4820(19) . ?
N2 C1 1.280(2) . ?
N2 C5 1.4658(19) . ?
N3 C1 1.3963(19) . ?
N3 C19 1.4596(19) . ?
N3 C11 1.4652(19) . ?
N4 C21 1.3454(19) . ?
N4 C22 1.4621(18) . ?
C2 C4 1.518(3) . ?
C2 C3 1.518(3) . ?
C5 C7 1.510(3) . ?
C5 C6 1.522(2) . ?
C11 C12 1.5327(19) . ?
C11 C21 1.547(2) . ?
C12 C13 1.512(2) . ?
C13 C18 1.389(2) . ?
C13 C14 1.398(2) . ?
C14 C15 1.379(3) . ?
C15 C16 1.383(3) . ?
C16 C17 1.390(3) . ?
C17 C18 1.396(2) . ?
C18 C19 1.510(2) . ?
C22 C23 1.517(2) . ?
C22 C29 1.562(2) . ?
C23 N5 1.335(2) . ?
C23 C24 1.394(2) . ?
C24 C25 1.378(3) . ?
C25 C26 1.382(3) . ?
C26 C27 1.374(3) . ?
C27 N5 1.339(2) . ?
C29 C32 1.527(2) . ?
C29 C31 1.530(2) . ?
C29 C30 1.530(2) . ?

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
C1 N1 C2 119.77(12) . . ?
C1 N2 C5 120.09(13) . . ?
C1 N3 C19 119.66(12) . . ?
C1 N3 C11 119.32(12) . . ?
C19 N3 C11 113.26(12) . . ?
C21 N4 C22 123.14(12) . . ?
N2 C1 N1 127.02(13) . . ?
N2 C1 N3 119.43(13) . . ?
N1 C1 N3 113.55(13) . . ?
N1 C2 C4 107.43(14) . . ?
N1 C2 C3 111.25(14) . . ?
C4 C2 C3 112.65(15) . . ?
N2 C5 C7 108.26(14) . . ?
N2 C5 C6 108.65(13) . . ?
C7 C5 C6 110.81(16) . . ?
N3 C11 C12 107.87(12) . . ?
N3 C11 C21 113.14(12) . . ?
C12 C11 C21 112.20(12) . . ?
C13 C12 C11 113.75(13) . . ?
C18 C13 C14 118.67(16) . . ?
C18 C13 C12 121.20(13) . . ?
C14 C13 C12 120.08(15) . . ?
C15 C14 C13 121.16(18) . . ?
C14 C15 C16 120.08(16) . . ?
C15 C16 C17 119.60(18) . . ?
C16 C17 C18 120.29(18) . . ?
C13 C18 C17 120.18(15) . . ?
C13 C18 C19 120.60(14) . . ?
C17 C18 C19 119.22(15) . . ?
N3 C19 C18 110.95(12) . . ?
O C21 N4 124.28(14) . . ?
O C21 C11 122.14(13) . . ?
N4 C21 C11 113.57(12) . . ?
N4 C22 C23 109.64(12) . . ?
N4 C22 C29 112.11(12) . . ?
C23 C22 C29 112.38(12) . . ?
N5 C23 C24 121.81(15) . . ?
N5 C23 C22 117.09(13) . . ?
C24 C23 C22 121.08(14) . . ?
C25 C24 C23 119.60(16) . . ?
C24 C25 C26 118.67(17) . . ?
C27 C26 C25 118.15(17) . . ?
N5 C27 C26 124.14(18) . . ?
C23 N5 C27 117.62(15) . . ?
C32 C29 C31 109.84(14) . . ?
C32 C29 C30 109.54(14) . . ?
C31 C29 C30 108.46(13) . . ?
C32 C29 C22 111.14(12) . . ?
C31 C29 C22 108.30(13) . . ?
C30 C29 C22 109.51(13) . . ?

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
C5 N2 C1 N1 9.1(2) . . . . ?
C5 N2 C1 N3 -171.95(13) . . . . ?
C2 N1 C1 N2 -128.74(16) . . . . ?
C2 N1 C1 N3 52.28(18) . . . . ?
C19 N3 C1 N2 -133.59(15) . . . . ?
C11 N3 C1 N2 13.6(2) . . . . ?
C19 N3 C1 N1 45.47(18) . . . . ?
C11 N3 C1 N1 -167.30(12) . . . . ?
C1 N1 C2 C4 -174.57(15) . . . . ?
C1 N1 C2 C3 61.71(19) . . . . ?
C1 N2 C5 C7 145.17(16) . . . . ?
C1 N2 C5 C6 -94.42(17) . . . . ?
C1 N3 C11 C12 144.70(13) . . . . ?
C19 N3 C11 C12 -66.09(15) . . . . ?
C1 N3 C11 C21 -90.57(15) . . . . ?
C19 N3 C11 C21 58.63(16) . . . . ?
N3 C11 C12 C13 42.77(16) . . . . ?
C21 C11 C12 C13 -82.52(15) . . . . ?
C11 C12 C13 C18 -12.9(2) . . . . ?
C11 C12 C13 C14 169.50(13) . . . . ?
C18 C13 C14 C15 0.0(2) . . . . ?
C12 C13 C14 C15 177.62(15) . . . . ?
C13 C14 C15 C16 1.0(3) . . . . ?
C14 C15 C16 C17 -0.8(3) . . . . ?
C15 C16 C17 C18 -0.3(3) . . . . ?
C14 C13 C18 C17 -1.1(2) . . . . ?
C12 C13 C18 C17 -178.73(14) . . . . ?
C14 C13 C18 C19 178.96(13) . . . . ?
C12 C13 C18 C19 1.3(2) . . . . ?
C16 C17 C18 C13 1.3(2) . . . . ?
C16 C17 C18 C19 -178.76(15) . . . . ?
C1 N3 C19 C18 -156.36(13) . . . . ?
C11 N3 C19 C18 54.55(16) . . . . ?
C13 C18 C19 N3 -20.70(19) . . . . ?
C17 C18 C19 N3 159.35(13) . . . . ?
C22 N4 C21 O -2.8(2) . . . . ?
C22 N4 C21 C11 176.34(13) . . . . ?
N3 C11 C21 O -120.99(16) . . . . ?
C12 C11 C21 O 1.4(2) . . . . ?
N3 C11 C21 N4 59.83(17) . . . . ?
C12 C11 C21 N4 -177.83(13) . . . . ?
C21 N4 C22 C23 -131.24(14) . . . . ?
C21 N4 C22 C29 103.21(15) . . . . ?
N4 C22 C23 N5 -43.58(17) . . . . ?
C29 C22 C23 N5 81.80(16) . . . . ?
N4 C22 C23 C24 138.06(15) . . . . ?
C29 C22 C23 C24 -96.55(17) . . . . ?
N5 C23 C24 C25 -1.5(3) . . . . ?
C22 C23 C24 C25 176.78(15) . . . . ?
C23 C24 C25 C26 0.9(3) . . . . ?
C24 C25 C26 C27 0.2(3) . . . . ?
C25 C26 C27 N5 -0.8(3) . . . . ?
C24 C23 N5 C27 0.9(2) . . . . ?
C22 C23 N5 C27 -177.40(15) . . . . ?
C26 C27 N5 C23 0.2(3) . . . . ?
N4 C22 C29 C32 53.68(17) . . . . ?
C23 C22 C29 C32 -70.35(16) . . . . ?
N4 C22 C29 C31 -67.06(16) . . . . ?
C23 C22 C29 C31 168.91(13) . . . . ?
N4 C22 C29 C30 174.84(12) . . . . ?
C23 C22 C29 C30 50.81(16) . . . . ?

_refine_diff_density_max         0.133
_refine_diff_density_min         -0.190
_refine_diff_density_rms         0.041


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: DCM, PE'
