# Supplementary Information (SI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2026

####################################################################### 
# 
# 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_a
_audit_block_doi                 10.5517/ccdc.csd.cc2qk7xg
_database_code_depnum_ccdc_archive 'CCDC 2519026'
loop_
_audit_author_name
_audit_author_address
'Yang Zhen Xu'
;Dalian University of Technology
China
;
_audit_update_record             
;
2025-12-27 deposited with the CCDC.	2026-03-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
'tert-Butyl 2-methylene-4-(naphthalen-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2- yl)pentanoate'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         C26H35BO4
_chemical_formula_sum            'C26 H35 B O4'
_chemical_formula_weight         422.35

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'
B B 0.0013 0.0007 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   p_21/c

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

_cell_length_a                   8.6140(5)
_cell_length_b                   13.7758(9)
_cell_length_c                   21.2823(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.627(2)
_cell_angle_gamma                90.00
_cell_volume                     2473.6(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9955
_cell_measurement_theta_min      30.12
_cell_measurement_theta_max      2.25

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.134
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             912
_exptl_absorpt_coefficient_mu    0.074
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26564
_diffrn_reflns_av_R_equivalents  0.0641
_diffrn_reflns_av_sigmaI/netI    0.0419
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.83
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4328
_reflns_number_gt                3453
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0575P)²+1.3160P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4328
_refine_ls_number_parameters     318
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0624
_refine_ls_R_factor_gt           0.0491
_refine_ls_wR_factor_ref         0.1330
_refine_ls_wR_factor_gt          0.1200
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.031
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
B1 B 0.3922(2) 0.03993(14) 0.29819(9) 0.0210(4) Uani 1 1 d . A .
C1 C 0.0322(2) 0.42504(14) 0.36012(10) 0.0365(5) Uani 1 1 d . . .
H1A H -0.0492 0.4461 0.3258 0.044 Uiso 1 1 calc R . .
C2 C 0.0806(3) 0.48375(15) 0.41189(11) 0.0453(6) Uani 1 1 d . . .
H2A H 0.0315 0.5451 0.4138 0.054 Uiso 1 1 calc R . .
C3 C 0.2029(3) 0.45411(15) 0.46250(11) 0.0448(5) Uani 1 1 d . . .
H3A H 0.2380 0.4965 0.4977 0.054 Uiso 1 1 calc R . .
C4 C 0.2716(2) 0.36488(14) 0.46150(9) 0.0348(5) Uani 1 1 d . . .
H4A H 0.3533 0.3455 0.4962 0.042 Uiso 1 1 calc R . .
C5 C 0.2221(2) 0.30097(13) 0.40910(8) 0.0265(4) Uani 1 1 d . . .
C6 C 0.1027(2) 0.33268(13) 0.35729(9) 0.0282(4) Uani 1 1 d . . .
C7 C 0.0594(2) 0.26980(13) 0.30403(9) 0.0299(4) Uani 1 1 d . . .
H7A H -0.0167 0.2907 0.2679 0.036 Uiso 1 1 calc R . .
C8 C 0.1248(2) 0.17995(13) 0.30364(8) 0.0263(4) Uani 1 1 d . . .
H8A H 0.0948 0.1401 0.2668 0.032 Uiso 1 1 calc R . .
C9 C 0.23727(18) 0.14414(12) 0.35713(8) 0.0215(4) Uani 1 1 d . . .
C10 C 0.28586(19) 0.20623(12) 0.40770(8) 0.0232(4) Uani 1 1 d . . .
H10A H 0.3647 0.1851 0.4429 0.028 Uiso 1 1 calc R . .
C11 C 0.29729(19) 0.03952(12) 0.35460(8) 0.0214(4) Uani 1 1 d . . .
C12 C 0.15453(19) -0.03056(13) 0.34044(8) 0.0255(4) Uani 1 1 d . . .
H12A H 0.0988 -0.0294 0.3763 0.038 Uiso 1 1 calc R . .
H12B H 0.1922 -0.0966 0.3350 0.038 Uiso 1 1 calc R . .
H12C H 0.0820 -0.0102 0.3011 0.038 Uiso 1 1 calc R . .
C13 C 0.5823(2) 0.0786(2) 0.24283(9) 0.0500(6) Uani 1 1 d . . .
C16 C 0.4479(2) 0.02683(17) 0.19882(9) 0.0405(5) Uani 1 1 d . A .
C19 C 0.40966(19) 0.01146(12) 0.41853(8) 0.0215(4) Uani 1 1 d . . .
H19A H 0.5032 0.0548 0.4253 0.026 Uiso 1 1 calc R . .
H19B H 0.3539 0.0222 0.4543 0.026 Uiso 1 1 calc R . .
C20 C 0.4654(2) -0.09266(12) 0.42030(8) 0.0227(4) Uani 1 1 d . . .
C21 C 0.6007(2) -0.11928(14) 0.40476(9) 0.0314(4) Uani 1 1 d . . .
H21A H 0.6329 -0.1853 0.4085 0.038 Uiso 1 1 calc R . .
H21B H 0.6655 -0.0723 0.3899 0.038 Uiso 1 1 calc R . .
C22 C 0.3700(2) -0.17151(13) 0.44346(8) 0.0253(4) Uani 1 1 d . . .
C23 C 0.1711(2) -0.19782(13) 0.51037(9) 0.0307(4) Uani 1 1 d . . .
C24 C 0.2649(3) -0.27496(16) 0.55228(12) 0.0483(6) Uani 1 1 d . . .
H24A H 0.3090 -0.3209 0.5254 0.072 Uiso 1 1 calc R . .
H24B H 0.1951 -0.3096 0.5758 0.072 Uiso 1 1 calc R . .
H24C H 0.3513 -0.2444 0.5828 0.072 Uiso 1 1 calc R . .
C25 C 0.0451(3) -0.23916(19) 0.45752(12) 0.0546(6) Uani 1 1 d . . .
H25A H -0.0111 -0.1860 0.4319 0.082 Uiso 1 1 calc R . .
H25B H -0.0302 -0.2772 0.4763 0.082 Uiso 1 1 calc R . .
H25C H 0.0947 -0.2811 0.4300 0.082 Uiso 1 1 calc R . .
C26 C 0.1021(3) -0.12679(15) 0.55147(11) 0.0447(5) Uani 1 1 d . . .
H26A H 0.0419 -0.0768 0.5241 0.067 Uiso 1 1 calc R . .
H26B H 0.1881 -0.0962 0.5823 0.067 Uiso 1 1 calc R . .
H26C H 0.0315 -0.1613 0.5747 0.067 Uiso 1 1 calc R . .
O1 O 0.54258(13) 0.07451(9) 0.30561(5) 0.0270(3) Uani 1 1 d . A .
O2 O 0.32863(14) 0.01165(10) 0.23710(5) 0.0313(3) Uani 1 1 d . . .
O3 O 0.37959(17) -0.25644(9) 0.43045(7) 0.0410(4) Uani 1 1 d . . .
O4 O 0.27837(14) -0.13545(8) 0.48150(6) 0.0254(3) Uani 1 1 d . . .
C14 C 0.5458(5) 0.1952(3) 0.22736(18) 0.0521(12) Uani 0.622(5) 1 d P A 1
H14A H 0.4322 0.2077 0.2235 0.078 Uiso 0.622(5) 1 calc PR A 1
H14B H 0.5774 0.2124 0.1871 0.078 Uiso 0.622(5) 1 calc PR A 1
H14C H 0.6061 0.2344 0.2624 0.078 Uiso 0.622(5) 1 calc PR A 1
C15 C 0.7473(4) 0.0621(4) 0.24323(18) 0.0525(14) Uani 0.622(5) 1 d P A 1
H15A H 0.7959 0.1225 0.2323 0.079 Uiso 0.622(5) 1 calc PR A 1
H15B H 0.7576 0.0120 0.2116 0.079 Uiso 0.622(5) 1 calc PR A 1
H15C H 0.8009 0.0406 0.2860 0.079 Uiso 0.622(5) 1 calc PR A 1
C14' C 0.6852(8) 0.1449(6) 0.2305(3) 0.059(2) Uani 0.378(5) 1 d P A 2
H14D H 0.6310 0.2074 0.2211 0.088 Uiso 0.378(5) 1 calc PR A 2
H14E H 0.7285 0.1242 0.1935 0.088 Uiso 0.378(5) 1 calc PR A 2
H14F H 0.7717 0.1519 0.2680 0.088 Uiso 0.378(5) 1 calc PR A 2
C15' C 0.7065(8) -0.0278(5) 0.2595(3) 0.054(2) Uani 0.378(5) 1 d P A 2
H15D H 0.6411 -0.0840 0.2651 0.081 Uiso 0.378(5) 1 calc PR A 2
H15E H 0.7862 -0.0173 0.2988 0.081 Uiso 0.378(5) 1 calc PR A 2
H15F H 0.7596 -0.0397 0.2236 0.081 Uiso 0.378(5) 1 calc PR A 2
C17 C 0.3593(7) 0.1277(5) 0.1624(3) 0.0420(18) Uani 0.377(6) 1 d P A 1
H17A H 0.3558 0.1779 0.1947 0.063 Uiso 0.377(6) 1 calc PR A 1
H17B H 0.2511 0.1118 0.1404 0.063 Uiso 0.377(6) 1 calc PR A 1
H17C H 0.4197 0.1515 0.1312 0.063 Uiso 0.377(6) 1 calc PR A 1
C18 C 0.4518(9) -0.0408(5) 0.1485(3) 0.054(2) Uani 0.377(6) 1 d P A 1
H18A H 0.5000 -0.1016 0.1667 0.081 Uiso 0.377(6) 1 calc PR A 1
H18B H 0.5145 -0.0139 0.1190 0.081 Uiso 0.377(6) 1 calc PR A 1
H18C H 0.3435 -0.0534 0.1251 0.081 Uiso 0.377(6) 1 calc PR A 1
C17' C 0.3849(5) 0.0571(4) 0.13312(16) 0.0626(18) Uani 0.623(6) 1 d P A 2
H17D H 0.3982 0.0044 0.1037 0.094 Uiso 0.623(6) 1 calc PR A 2
H17E H 0.4421 0.1147 0.1232 0.094 Uiso 0.623(6) 1 calc PR A 2
H17F H 0.2720 0.0724 0.1282 0.094 Uiso 0.623(6) 1 calc PR A 2
C18' C 0.5117(5) -0.0843(3) 0.1982(2) 0.0602(15) Uani 0.623(6) 1 d P A 2
H18D H 0.5568 -0.1049 0.2421 0.090 Uiso 0.623(6) 1 calc PR A 2
H18E H 0.5933 -0.0879 0.1722 0.090 Uiso 0.623(6) 1 calc PR A 2
H18F H 0.4233 -0.1271 0.1798 0.090 Uiso 0.623(6) 1 calc PR A 2


_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
B1 O1 1.359(2) . ?
B1 O2 1.362(2) . ?
B1 C11 1.583(2) . ?
C1 C2 1.363(3) . ?
C1 C6 1.416(3) . ?
C1 H1A 0.9500 . ?
C2 C3 1.407(3) . ?
C2 H2A 0.9500 . ?
C3 C4 1.366(3) . ?
C3 H3A 0.9500 . ?
C4 C5 1.418(3) . ?
C4 H4A 0.9500 . ?
C5 C6 1.417(3) . ?
C5 C10 1.419(2) . ?
C6 C7 1.416(3) . ?
C7 C8 1.361(3) . ?
C7 H7A 0.9500 . ?
C8 C9 1.426(2) . ?
C8 H8A 0.9500 . ?
C9 C10 1.372(2) . ?
C9 C11 1.536(2) . ?
C10 H10A 0.9500 . ?
C11 C12 1.545(2) . ?
C11 C19 1.551(2) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14' 1.336(6) . ?
C13 C15 1.438(4) . ?
C13 O1 1.446(2) . ?
C13 C16 1.513(3) . ?
C13 C14 1.658(5) . ?
C13 C15' 1.806(7) . ?
C16 C18 1.426(6) . ?
C16 O2 1.449(2) . ?
C16 C17' 1.455(4) . ?
C16 C18' 1.628(5) . ?
C16 C17 1.695(6) . ?
C19 C20 1.511(2) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.326(3) . ?
C20 C22 1.504(2) . ?
C21 H21A 0.9500 . ?
C21 H21B 0.9500 . ?
C22 O3 1.209(2) . ?
C22 O4 1.335(2) . ?
C23 O4 1.483(2) . ?
C23 C25 1.508(3) . ?
C23 C26 1.512(3) . ?
C23 C24 1.512(3) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C14' H14D 0.9800 . ?
C14' H14E 0.9800 . ?
C14' H14F 0.9800 . ?
C15' H15D 0.9800 . ?
C15' H15E 0.9800 . ?
C15' H15F 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C17' H17D 0.9800 . ?
C17' H17E 0.9800 . ?
C17' H17F 0.9800 . ?
C18' H18D 0.9800 . ?
C18' H18E 0.9800 . ?
C18' H18F 0.9800 . ?

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
O1 B1 O2 113.67(15) . . ?
O1 B1 C11 122.61(15) . . ?
O2 B1 C11 123.60(15) . . ?
C2 C1 C6 120.23(19) . . ?
C2 C1 H1A 119.9 . . ?
C6 C1 H1A 119.9 . . ?
C1 C2 C3 120.46(19) . . ?
C1 C2 H2A 119.8 . . ?
C3 C2 H2A 119.8 . . ?
C4 C3 C2 120.6(2) . . ?
C4 C3 H3A 119.7 . . ?
C2 C3 H3A 119.7 . . ?
C3 C4 C5 120.55(19) . . ?
C3 C4 H4A 119.7 . . ?
C5 C4 H4A 119.7 . . ?
C6 C5 C4 118.48(17) . . ?
C6 C5 C10 119.40(16) . . ?
C4 C5 C10 122.10(17) . . ?
C7 C6 C1 122.54(17) . . ?
C7 C6 C5 117.84(16) . . ?
C1 C6 C5 119.62(17) . . ?
C8 C7 C6 121.28(16) . . ?
C8 C7 H7A 119.4 . . ?
C6 C7 H7A 119.4 . . ?
C7 C8 C9 121.68(16) . . ?
C7 C8 H8A 119.2 . . ?
C9 C8 H8A 119.2 . . ?
C10 C9 C8 117.47(16) . . ?
C10 C9 C11 124.11(15) . . ?
C8 C9 C11 118.42(15) . . ?
C9 C10 C5 122.11(16) . . ?
C9 C10 H10A 118.9 . . ?
C5 C10 H10A 118.9 . . ?
C9 C11 C12 109.44(13) . . ?
C9 C11 C19 110.98(13) . . ?
C12 C11 C19 110.30(13) . . ?
C9 C11 B1 104.61(13) . . ?
C12 C11 B1 111.52(14) . . ?
C19 C11 B1 109.87(13) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14' C13 C15 54.2(4) . . ?
C14' C13 O1 119.9(3) . . ?
C15 C13 O1 114.0(2) . . ?
C14' C13 C16 131.0(3) . . ?
C15 C13 C16 124.2(2) . . ?
O1 C13 C16 105.05(15) . . ?
C14' C13 C14 53.5(4) . . ?
C15 C13 C14 107.6(3) . . ?
O1 C13 C14 98.6(2) . . ?
C16 C13 C14 104.0(2) . . ?
C14' C13 C15' 101.7(5) . . ?
C15 C13 C15' 47.6(3) . . ?
O1 C13 C15' 91.6(2) . . ?
C16 C13 C15' 95.1(3) . . ?
C14 C13 C15' 155.0(3) . . ?
C18 C16 O2 117.1(3) . . ?
C18 C16 C17' 61.7(4) . . ?
O2 C16 C17' 114.3(2) . . ?
C18 C16 C13 130.0(3) . . ?
O2 C16 C13 105.12(14) . . ?
C17' C16 C13 123.4(2) . . ?
C18 C16 C18' 47.1(3) . . ?
O2 C16 C18' 98.5(2) . . ?
C17' C16 C18' 108.8(3) . . ?
C13 C16 C18' 103.4(2) . . ?
C18 C16 C17 105.6(4) . . ?
O2 C16 C17 94.0(2) . . ?
C17' C16 C17 43.9(3) . . ?
C13 C16 C17 96.6(3) . . ?
C18' C16 C17 152.7(3) . . ?
C20 C19 C11 113.42(13) . . ?
C20 C19 H19A 108.9 . . ?
C11 C19 H19A 108.9 . . ?
C20 C19 H19B 108.9 . . ?
C11 C19 H19B 108.9 . . ?
H19A C19 H19B 107.7 . . ?
C21 C20 C22 116.61(16) . . ?
C21 C20 C19 123.19(16) . . ?
C22 C20 C19 120.13(15) . . ?
C20 C21 H21A 120.0 . . ?
C20 C21 H21B 120.0 . . ?
H21A C21 H21B 120.0 . . ?
O3 C22 O4 125.11(16) . . ?
O3 C22 C20 123.83(16) . . ?
O4 C22 C20 111.03(14) . . ?
O4 C23 C25 108.94(16) . . ?
O4 C23 C26 102.43(14) . . ?
C25 C23 C26 111.60(18) . . ?
O4 C23 C24 110.37(15) . . ?
C25 C23 C24 113.15(18) . . ?
C26 C23 C24 109.83(18) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
B1 O1 C13 107.69(13) . . ?
B1 O2 C16 107.53(13) . . ?
C22 O4 C23 121.98(13) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C14' H14D 109.5 . . ?
C13 C14' H14E 109.5 . . ?
H14D C14' H14E 109.5 . . ?
C13 C14' H14F 109.5 . . ?
H14D C14' H14F 109.5 . . ?
H14E C14' H14F 109.5 . . ?
C13 C15' H15D 109.5 . . ?
C13 C15' H15E 109.5 . . ?
H15D C15' H15E 109.5 . . ?
C13 C15' H15F 109.5 . . ?
H15D C15' H15F 109.5 . . ?
H15E C15' H15F 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C17' H17D 109.5 . . ?
C16 C17' H17E 109.5 . . ?
H17D C17' H17E 109.5 . . ?
C16 C17' H17F 109.5 . . ?
H17D C17' H17F 109.5 . . ?
H17E C17' H17F 109.5 . . ?
C16 C18' H18D 109.5 . . ?
C16 C18' H18E 109.5 . . ?
H18D C18' H18E 109.5 . . ?
C16 C18' H18F 109.5 . . ?
H18D C18' H18F 109.5 . . ?
H18E C18' H18F 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.323
_refine_diff_density_min         -0.264
_refine_diff_density_rms         0.042
_chemical_properties_physical    Moisture-sensitive
