# Supplementary Material (ESI) for Organic & Biomolecular Chemistry
# This journal is (c) The Royal Society of Chemistry 2009

data_global
_journal_name_full               Org.Biomol.Chem.
_journal_coden_cambridge         0177
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_name        'Kak-Shan Shia'
_publ_contact_author_email       KSSHIA@NHRI.ORG.TW
loop_
_publ_author_name
'Kak-Shan Shia.'
'Min-Tsang Hsieh.'
'Hsing-Jang Liu.'
'Tai Wei Ly.'

_publ_section_title              
;
A Concise Total Synthesis of (±)-Acutifolone A
;

data_i7710
_database_code_depnum_ccdc_archive 'CCDC 706353'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C20 H26 N4 O6'
_chemical_formula_sum            'C20 H26 N4 O6'
_chemical_formula_weight         418.45

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 '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'
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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   10.3756(6)
_cell_length_b                   12.6325(7)
_cell_length_c                   16.2827(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.3580(10)
_cell_angle_gamma                90.00
_cell_volume                     2058.0(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    150.0(1)
_cell_measurement_reflns_used    4766
_cell_measurement_theta_min      2.6
_cell_measurement_theta_max      28.82

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      0
_exptl_crystal_density_diffrn    1.351
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             888
_exptl_absorpt_coefficient_mu    0.101
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.9377
_exptl_absorpt_correction_T_max  0.9941
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150.0(1)
_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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            15394
_diffrn_reflns_av_R_equivalents  0.0334
_diffrn_reflns_av_sigmaI/netI    0.0352
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.07
_diffrn_reflns_theta_max         25.03
_reflns_number_total             3635
_reflns_number_gt                2630
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0522P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/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     SHELXL
_refine_ls_extinction_coef       0.0025(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         3635
_refine_ls_number_parameters     272
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0456
_refine_ls_R_factor_gt           0.0335
_refine_ls_wR_factor_ref         0.0888
_refine_ls_wR_factor_gt          0.0862
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_restrained_S_all      0.984
_refine_ls_shift/su_max          0.001
_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
O1 O 0.77099(10) 0.58047(8) 0.01791(6) 0.0303(3) Uani 1 1 d . . .
O2 O 0.89298(10) 0.65116(9) -0.06208(7) 0.0383(3) Uani 1 1 d . . .
O3 O 0.43032(11) 0.18179(8) -0.16419(7) 0.0445(3) Uani 1 1 d . . .
O4 O 0.45391(11) 0.02319(8) -0.11466(8) 0.0449(3) Uani 1 1 d . . .
O5 O 0.85778(13) -0.09950(9) 0.06900(8) 0.0557(4) Uani 1 1 d . . .
O6 O 1.02534(12) 0.00634(9) 0.10984(8) 0.0509(3) Uani 1 1 d . . .
N1 N 0.67036(11) 0.42337(9) -0.09960(7) 0.0242(3) Uani 1 1 d . . .
N2 N 0.61259(11) 0.32427(8) -0.10756(7) 0.0250(3) Uani 1 1 d . . .
H2 H 0.5324 0.3152 -0.1387 0.030 Uiso 1 1 calc R . .
N3 N 0.49745(12) 0.11237(10) -0.11863(8) 0.0305(3) Uani 1 1 d . . .
N4 N 0.90949(14) -0.01190(11) 0.07113(8) 0.0367(3) Uani 1 1 d . . .
C1 C 0.59280(14) 0.50139(11) -0.12851(8) 0.0234(3) Uani 1 1 d . . .
C2 C 0.66348(13) 0.60639(10) -0.12980(8) 0.0226(3) Uani 1 1 d . . .
C3 C 0.69830(15) 0.61426(11) -0.21759(9) 0.0276(3) Uani 1 1 d . . .
H3 H 0.6180 0.5917 -0.2608 0.033 Uiso 1 1 calc R . .
C4 C 0.71447(17) 0.73290(11) -0.23235(10) 0.0348(4) Uani 1 1 d . . .
H4A H 0.8082 0.7508 -0.2227 0.042 Uiso 1 1 calc R . .
H4B H 0.6680 0.7520 -0.2903 0.042 Uiso 1 1 calc R . .
C5 C 0.65425(15) 0.79167(11) -0.16913(10) 0.0307(4) Uani 1 1 d . . .
H5A H 0.5940 0.8467 -0.1981 0.037 Uiso 1 1 calc R . .
H5B H 0.7244 0.8242 -0.1248 0.037 Uiso 1 1 calc R . .
C6 C 0.57758(14) 0.70950(11) -0.13014(9) 0.0241(3) Uani 1 1 d . . .
C7 C 0.43486(14) 0.69266(11) -0.18935(9) 0.0290(4) Uani 1 1 d . . .
H7 H 0.4438 0.6813 -0.2471 0.035 Uiso 1 1 calc R . .
C8 C 0.36910(15) 0.59467(11) -0.16460(10) 0.0355(4) Uani 1 1 d . . .
H8A H 0.2794 0.5884 -0.2018 0.043 Uiso 1 1 calc R . .
H8B H 0.3616 0.6032 -0.1068 0.043 Uiso 1 1 calc R . .
C9 C 0.44565(15) 0.49313(11) -0.16985(10) 0.0329(4) Uani 1 1 d . . .
H9A H 0.4089 0.4364 -0.1428 0.039 Uiso 1 1 calc R . .
H9B H 0.4324 0.4744 -0.2293 0.039 Uiso 1 1 calc R . .
C10 C 0.78913(15) 0.61411(11) -0.05649(9) 0.0267(3) Uani 1 1 d . . .
C11 C 0.88471(16) 0.59283(15) 0.09001(10) 0.0466(5) Uani 1 1 d . . .
H11A H 0.8632 0.5670 0.1402 0.070 Uiso 1 1 calc R . .
H11B H 0.9083 0.6664 0.0973 0.070 Uiso 1 1 calc R . .
H11C H 0.9587 0.5534 0.0807 0.070 Uiso 1 1 calc R . .
C12 C 0.81102(17) 0.54530(12) -0.22970(10) 0.0370(4) Uani 1 1 d . . .
H12A H 0.7926 0.4726 -0.2198 0.055 Uiso 1 1 calc R . .
H12B H 0.8932 0.5663 -0.1902 0.055 Uiso 1 1 calc R . .
H12C H 0.8188 0.5532 -0.2868 0.055 Uiso 1 1 calc R . .
C13 C 0.57112(15) 0.74563(12) -0.04232(9) 0.0314(4) Uani 1 1 d . . .
H13A H 0.5233 0.6942 -0.0185 0.047 Uiso 1 1 calc R . .
H13B H 0.5259 0.8125 -0.0469 0.047 Uiso 1 1 calc R . .
H13C H 0.6601 0.7530 -0.0060 0.047 Uiso 1 1 calc R . .
C14 C 0.34245(16) 0.78787(12) -0.19269(11) 0.0388(4) Uani 1 1 d . . .
H14A H 0.3838 0.8501 -0.2082 0.058 Uiso 1 1 calc R . .
H14B H 0.3265 0.7981 -0.1378 0.058 Uiso 1 1 calc R . .
H14C H 0.2591 0.7752 -0.2342 0.058 Uiso 1 1 calc R . .
C15 C 0.68358(13) 0.24145(11) -0.06570(8) 0.0227(3) Uani 1 1 d . . .
C16 C 0.63087(13) 0.13789(11) -0.06885(8) 0.0234(3) Uani 1 1 d . . .
C17 C 0.70378(15) 0.05552(11) -0.02333(9) 0.0271(3) Uani 1 1 d . . .
H17 H 0.6669 -0.0118 -0.0253 0.032 Uiso 1 1 calc R . .
C18 C 0.83092(15) 0.07464(11) 0.02455(9) 0.0282(4) Uani 1 1 d . . .
C19 C 0.88761(15) 0.17488(11) 0.02900(9) 0.0307(4) Uani 1 1 d . . .
H19 H 0.9746 0.1862 0.0618 0.037 Uiso 1 1 calc R . .
C20 C 0.81492(14) 0.25648(12) -0.01495(9) 0.0279(3) Uani 1 1 d . . .
H20 H 0.8530 0.3236 -0.0113 0.033 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
O1 0.0308(6) 0.0346(6) 0.0231(5) 0.0012(4) 0.0029(4) -0.0043(5)
O2 0.0270(6) 0.0440(7) 0.0432(7) -0.0006(5) 0.0082(5) -0.0121(5)
O3 0.0391(7) 0.0274(6) 0.0539(7) 0.0059(5) -0.0104(6) -0.0030(5)
O4 0.0417(7) 0.0211(6) 0.0658(8) 0.0000(5) 0.0036(6) -0.0102(5)
O5 0.0593(8) 0.0301(7) 0.0720(9) 0.0181(6) 0.0077(7) 0.0050(6)
O6 0.0411(8) 0.0513(8) 0.0509(8) 0.0142(6) -0.0044(6) 0.0082(6)
N1 0.0277(7) 0.0166(6) 0.0288(7) 0.0000(5) 0.0083(5) -0.0035(5)
N2 0.0239(6) 0.0189(6) 0.0303(7) 0.0017(5) 0.0037(5) -0.0030(5)
N3 0.0321(7) 0.0212(7) 0.0370(7) -0.0021(6) 0.0068(6) -0.0017(6)
N4 0.0413(9) 0.0315(8) 0.0363(8) 0.0071(6) 0.0088(7) 0.0077(7)
C1 0.0269(8) 0.0213(8) 0.0227(8) -0.0004(6) 0.0076(6) -0.0026(6)
C2 0.0236(8) 0.0199(7) 0.0246(7) -0.0002(6) 0.0072(6) -0.0023(6)
C3 0.0346(9) 0.0252(8) 0.0246(8) -0.0010(6) 0.0109(7) -0.0019(7)
C4 0.0445(10) 0.0284(9) 0.0366(9) 0.0061(7) 0.0194(7) -0.0002(7)
C5 0.0360(9) 0.0207(8) 0.0374(9) 0.0009(7) 0.0131(7) -0.0024(7)
C6 0.0278(8) 0.0187(7) 0.0263(8) -0.0008(6) 0.0082(6) -0.0016(6)
C7 0.0296(8) 0.0218(8) 0.0328(9) 0.0016(6) 0.0033(7) 0.0002(6)
C8 0.0228(8) 0.0280(9) 0.0507(10) 0.0034(7) 0.0010(7) -0.0012(7)
C9 0.0293(9) 0.0219(8) 0.0428(9) 0.0034(7) 0.0014(7) -0.0051(7)
C10 0.0295(9) 0.0199(8) 0.0315(8) -0.0017(6) 0.0094(7) -0.0017(7)
C11 0.0414(11) 0.0610(12) 0.0299(9) 0.0019(8) -0.0041(8) -0.0048(9)
C12 0.0492(11) 0.0306(9) 0.0366(9) 0.0020(7) 0.0209(8) 0.0051(8)
C13 0.0341(9) 0.0295(9) 0.0323(9) -0.0040(7) 0.0117(7) 0.0012(7)
C14 0.0335(9) 0.0282(9) 0.0486(10) 0.0009(8) -0.0001(8) 0.0014(7)
C15 0.0259(8) 0.0213(8) 0.0228(7) 0.0003(6) 0.0101(6) 0.0005(6)
C16 0.0243(8) 0.0221(8) 0.0241(7) -0.0027(6) 0.0071(6) -0.0006(6)
C17 0.0354(9) 0.0191(8) 0.0296(8) 0.0010(6) 0.0136(7) 0.0002(7)
C18 0.0327(9) 0.0251(8) 0.0274(8) 0.0046(7) 0.0092(7) 0.0053(7)
C19 0.0268(8) 0.0326(9) 0.0314(8) 0.0019(7) 0.0055(7) 0.0008(7)
C20 0.0287(8) 0.0230(8) 0.0323(8) 0.0014(7) 0.0087(7) -0.0029(7)

_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 C10 1.3432(16) . ?
O1 C11 1.4356(16) . ?
O2 C10 1.2001(17) . ?
O3 N3 1.2372(15) . ?
O4 N3 1.2219(15) . ?
O5 N4 1.2263(16) . ?
O6 N4 1.2223(16) . ?
N1 C1 1.2805(17) . ?
N1 N2 1.3791(15) . ?
N2 C15 1.3550(17) . ?
N2 H2 0.8600 . ?
N3 C16 1.4432(18) . ?
N4 C18 1.4517(18) . ?
C1 C9 1.500(2) . ?
C1 C2 1.5184(18) . ?
C2 C10 1.5198(19) . ?
C2 C3 1.5676(18) . ?
C2 C6 1.5775(19) . ?
C3 C12 1.513(2) . ?
C3 C4 1.534(2) . ?
C3 H3 0.9800 . ?
C4 C5 1.530(2) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.5430(19) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C13 1.5193(19) . ?
C6 C7 1.5528(19) . ?
C7 C8 1.518(2) . ?
C7 C14 1.530(2) . ?
C7 H7 0.9800 . ?
C8 C9 1.523(2) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C20 1.4070(19) . ?
C15 C16 1.4137(19) . ?
C16 C17 1.3811(19) . ?
C17 C18 1.364(2) . ?
C17 H17 0.9300 . ?
C18 C19 1.390(2) . ?
C19 C20 1.363(2) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?

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
C10 O1 C11 114.96(12) . . ?
C1 N1 N2 116.67(11) . . ?
C15 N2 N1 119.26(11) . . ?
C15 N2 H2 120.4 . . ?
N1 N2 H2 120.4 . . ?
O4 N3 O3 121.86(12) . . ?
O4 N3 C16 119.29(12) . . ?
O3 N3 C16 118.84(12) . . ?
O6 N4 O5 123.22(13) . . ?
O6 N4 C18 117.84(13) . . ?
O5 N4 C18 118.93(14) . . ?
N1 C1 C9 125.25(13) . . ?
N1 C1 C2 114.75(12) . . ?
C9 C1 C2 119.50(12) . . ?
C1 C2 C10 111.23(11) . . ?
C1 C2 C3 107.26(11) . . ?
C10 C2 C3 110.81(11) . . ?
C1 C2 C6 116.54(11) . . ?
C10 C2 C6 108.43(11) . . ?
C3 C2 C6 102.17(10) . . ?
C12 C3 C4 114.95(12) . . ?
C12 C3 C2 117.08(12) . . ?
C4 C3 C2 105.43(11) . . ?
C12 C3 H3 106.2 . . ?
C4 C3 H3 106.2 . . ?
C2 C3 H3 106.2 . . ?
C5 C4 C3 106.71(11) . . ?
C5 C4 H4A 110.4 . . ?
C3 C4 H4A 110.4 . . ?
C5 C4 H4B 110.4 . . ?
C3 C4 H4B 110.4 . . ?
H4A C4 H4B 108.6 . . ?
C4 C5 C6 107.29(11) . . ?
C4 C5 H5A 110.3 . . ?
C6 C5 H5A 110.3 . . ?
C4 C5 H5B 110.3 . . ?
C6 C5 H5B 110.3 . . ?
H5A C5 H5B 108.5 . . ?
C13 C6 C5 109.95(11) . . ?
C13 C6 C7 110.67(12) . . ?
C5 C6 C7 110.33(11) . . ?
C13 C6 C2 114.23(11) . . ?
C5 C6 C2 101.80(11) . . ?
C7 C6 C2 109.51(11) . . ?
C8 C7 C14 109.20(13) . . ?
C8 C7 C6 111.62(12) . . ?
C14 C7 C6 113.57(12) . . ?
C8 C7 H7 107.4 . . ?
C14 C7 H7 107.4 . . ?
C6 C7 H7 107.4 . . ?
C7 C8 C9 113.21(13) . . ?
C7 C8 H8A 108.9 . . ?
C9 C8 H8A 108.9 . . ?
C7 C8 H8B 108.9 . . ?
C9 C8 H8B 108.9 . . ?
H8A C8 H8B 107.8 . . ?
C1 C9 C8 113.59(12) . . ?
C1 C9 H9A 108.8 . . ?
C8 C9 H9A 108.8 . . ?
C1 C9 H9B 108.8 . . ?
C8 C9 H9B 108.8 . . ?
H9A C9 H9B 107.7 . . ?
O2 C10 O1 122.34(13) . . ?
O2 C10 C2 124.47(13) . . ?
O1 C10 C2 113.09(12) . . ?
O1 C11 H11A 109.5 . . ?
O1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
O1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C3 C12 H12A 109.5 . . ?
C3 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C3 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C6 C13 H13A 109.5 . . ?
C6 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C6 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C7 C14 H14A 109.5 . . ?
C7 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C7 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N2 C15 C20 120.28(13) . . ?
N2 C15 C16 122.88(12) . . ?
C20 C15 C16 116.83(13) . . ?
C17 C16 C15 121.74(13) . . ?
C17 C16 N3 116.15(12) . . ?
C15 C16 N3 122.10(12) . . ?
C18 C17 C16 118.85(13) . . ?
C18 C17 H17 120.6 . . ?
C16 C17 H17 120.6 . . ?
C17 C18 C19 121.52(13) . . ?
C17 C18 N4 119.30(13) . . ?
C19 C18 N4 119.17(13) . . ?
C20 C19 C18 119.60(14) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C19 C20 C15 121.44(14) . . ?
C19 C20 H20 119.3 . . ?
C15 C20 H20 119.3 . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        25.03
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.261
_refine_diff_density_min         -0.187
_refine_diff_density_rms         0.042