# Electronic Supplementary Material (ESI) for Chemical Science
# This journal is © The Royal Society of Chemistry 2012


data_global
_journal_name_full               'Chemical Science'
_journal_coden_cambridge         1475
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
loop_
_publ_author_name
'Olafs Daugulis'
'Thanh Truong'
_publ_contact_author_email       'Olafs Daugulisolafs@uh.edu'

data_k1281
_database_code_depnum_ccdc_archive 'CCDC 897191'
#TrackingRef '- k1281.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_sum            'C25 H20 O'
_chemical_formula_weight         336.41

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'
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   P2(1)/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                   11.7510(9)
_cell_length_b                   7.5332(6)
_cell_length_c                   19.9382(15)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.651(1)
_cell_angle_gamma                90.00
_cell_volume                     1756.4(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    223(2)
_cell_measurement_reflns_used    3030
_cell_measurement_theta_min      1.74
_cell_measurement_theta_max      25.02

_exptl_crystal_description       plate
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.06
_exptl_crystal_density_diffrn    1.272
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             712
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_type   Empirical
_exptl_absorpt_correction_T_min  0.8927
_exptl_absorpt_correction_T_max  0.9877
_exptl_absorpt_process_details   'SAINT v7.12A'

_publ_section_experimental       
;
All measurements were made with a Siemens SMART platform
diffractometer equipped with a 4K CCD APEX II detector. A
hemisphere of data (1271 frames at 6 cm detector distance)
was collected using a narrow-frame algorithm with scan widths
of 0.30\% in omega and an exposure time of 45 s/frame. The
data were integrated using the Bruker-Nonius SAINT program,
with the intensities corrected for Lorentz factor, polarization,
air absorption, and absorption due to variation in the path
length through the detector faceplate. A psi scan absorption
correction was applied based on the entire data set. Redundant
reflections were averaged. Final cell constants were refined
using 3030 reflections having I>10\s(I), and these, along with
other information pertinent to data collection and refinement,
are listed in Table 1. The Laue symmetry was determined to
be 2/m, and from the systematic absences noted the space group
was shown unambiguously to be P2(1)/c.
;

_publ_section_figure_captions    
;
Fig. 1 -- View of the molecule showing the atom numbering
scheme. Thermal ellipsoids are 40% equiprobability envelopes,
with hydrogens as spheres of arbitrary diameter.

Fig. 2 -- Isotropic view of the molecule.

Fig. 3 -- View along the C10-C1 bond.

Fig. 4 -- Packing of the molecules in the unit cell.
;

_diffrn_ambient_temperature      223(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 APEX II CCD'
_diffrn_measurement_method       CCD
_diffrn_detector_area_resol_mean 4K
_diffrn_standards_decay_%        0.0
_diffrn_reflns_number            8948
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0254
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.74
_diffrn_reflns_theta_max         25.02
_reflns_number_total             3346
_reflns_number_gt                1964
_reflns_threshold_expression     >4sigma(I)

_computing_data_collection       'APEX2 v1.0-27 (Bruker-Nonius, 2005)'
_computing_cell_refinement       'SAINT v7.12A (Bruker-Nonius, 2004)'
_computing_data_reduction        'SAINT v7.12A (Bruker-Nonius, 2004)'
_computing_structure_solution    'SHELXS v6.12 (G.M. Sheldrick, 2001)'
_computing_structure_refinement  'SHELXL v6.12 (G.M. Sheldrick, 2001)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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^ > 4sigma(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^)+(0.0440P)^2^+0.3347P] 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    noref
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.0063(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         3090
_refine_ls_number_parameters     237
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0525
_refine_ls_R_factor_gt           0.0299
_refine_ls_wR_factor_ref         0.0916
_refine_ls_wR_factor_gt          0.0772
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_restrained_S_all      0.973
_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
O1 O 0.88569(8) 0.68509(12) 0.59529(5) 0.0354(3) Uani 1 1 d . . .
C1 C 0.77021(12) 0.63104(18) 0.57410(7) 0.0305(3) Uani 1 1 d . . .
C2 C 0.68770(12) 0.69471(18) 0.62368(7) 0.0315(3) Uani 1 1 d . . .
C3 C 0.71172(14) 0.83333(19) 0.66817(7) 0.0385(4) Uani 1 1 d . . .
H3 H 0.7844 0.8866 0.6716 0.046 Uiso 1 1 calc R . .
C4 C 0.62925(15) 0.8945(2) 0.70784(8) 0.0469(4) Uani 1 1 d . . .
H4 H 0.6464 0.9895 0.7377 0.056 Uiso 1 1 calc R . .
C5 C 0.52264(16) 0.8173(2) 0.70379(8) 0.0492(4) Uani 1 1 d . . .
H5 H 0.4669 0.8601 0.7304 0.059 Uiso 1 1 calc R . .
C6 C 0.49796(14) 0.6764(2) 0.66035(8) 0.0438(4) Uani 1 1 d . . .
H6 H 0.4253 0.6232 0.6576 0.053 Uiso 1 1 calc R . .
C7 C 0.58017(13) 0.61270(19) 0.62068(7) 0.0345(3) Uani 1 1 d . . .
C8 C 0.56194(13) 0.4503(2) 0.58088(8) 0.0397(4) Uani 1 1 d . . .
H8 H 0.4870 0.4100 0.5688 0.048 Uiso 1 1 calc R . .
C9 C 0.64973(13) 0.3592(2) 0.56162(7) 0.0374(4) Uani 1 1 d . . .
H9 H 0.6352 0.2499 0.5397 0.045 Uiso 1 1 calc R . .
C10 C 0.77247(12) 0.42338(18) 0.57336(7) 0.0326(3) Uani 1 1 d . . .
C11 C 0.83220(13) 0.3591(2) 0.51384(8) 0.0387(4) Uani 1 1 d . . .
H11 H 0.8720 0.2507 0.5178 0.046 Uiso 1 1 calc R . .
C12 C 0.83093(14) 0.4483(2) 0.45676(8) 0.0410(4) Uani 1 1 d . . .
H12 H 0.8695 0.4019 0.4215 0.049 Uiso 1 1 calc R . .
C13 C 0.77100(12) 0.61740(19) 0.44714(7) 0.0348(3) Uani 1 1 d . . .
C14 C 0.74692(14) 0.6917(2) 0.38353(8) 0.0434(4) Uani 1 1 d . . .
H14 H 0.7734 0.6353 0.3460 0.052 Uiso 1 1 calc R . .
C15 C 0.68474(15) 0.8467(2) 0.37451(8) 0.0489(4) Uani 1 1 d . . .
H15 H 0.6690 0.8953 0.3312 0.059 Uiso 1 1 calc R . .
C16 C 0.64581(15) 0.9301(2) 0.42937(8) 0.0474(4) Uani 1 1 d . . .
H16 H 0.6031 1.0354 0.4235 0.057 Uiso 1 1 calc R . .
C17 C 0.66979(13) 0.85833(19) 0.49330(8) 0.0387(4) Uani 1 1 d . . .
H17 H 0.6429 0.9158 0.5305 0.046 Uiso 1 1 calc R . .
C18 C 0.73270(12) 0.70340(18) 0.50314(7) 0.0321(3) Uani 1 1 d . . .
C19 C 0.83147(12) 0.34990(17) 0.64032(7) 0.0329(3) Uani 1 1 d . . .
C20 C 0.77209(14) 0.3298(2) 0.69657(8) 0.0435(4) Uani 1 1 d . . .
H20 H 0.6944 0.3613 0.6939 0.052 Uiso 1 1 calc R . .
C21 C 0.82545(16) 0.2640(2) 0.75683(8) 0.0492(4) Uani 1 1 d . . .
H21 H 0.7843 0.2548 0.7948 0.059 Uiso 1 1 calc R . .
C22 C 0.93791(15) 0.2122(2) 0.76116(9) 0.0472(4) Uani 1 1 d . . .
H22 H 0.9735 0.1644 0.8015 0.057 Uiso 1 1 calc R . .
C23 C 0.99794(15) 0.2313(2) 0.70572(9) 0.0473(4) Uani 1 1 d . . .
H23 H 1.0750 0.1963 0.7082 0.057 Uiso 1 1 calc R . .
C24 C 0.94574(13) 0.30142(19) 0.64625(8) 0.0403(4) Uani 1 1 d . . .
H24 H 0.9886 0.3164 0.6093 0.048 Uiso 1 1 calc R . .
C25 C 0.92548(14) 0.8491(2) 0.57086(9) 0.0450(4) Uani 1 1 d . . .
H25A H 0.9987 0.8784 0.5950 0.067 Uiso 1 1 calc R . .
H25B H 0.8707 0.9421 0.5778 0.067 Uiso 1 1 calc R . .
H25C H 0.9341 0.8384 0.5231 0.067 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 0.0344(5) 0.0301(5) 0.0403(6) 0.0033(4) -0.0028(5) -0.0055(4)
C1 0.0330(8) 0.0272(7) 0.0302(8) -0.0003(6) -0.0021(6) -0.0016(6)
C2 0.0387(8) 0.0281(8) 0.0270(7) 0.0037(6) -0.0010(6) 0.0034(6)
C3 0.0479(9) 0.0353(8) 0.0319(8) -0.0008(6) 0.0017(7) 0.0016(7)
C4 0.0654(12) 0.0419(9) 0.0339(9) -0.0041(7) 0.0070(8) 0.0078(8)
C5 0.0585(11) 0.0531(11) 0.0380(9) 0.0053(8) 0.0142(8) 0.0158(9)
C6 0.0420(9) 0.0471(10) 0.0428(10) 0.0135(8) 0.0063(8) 0.0047(8)
C7 0.0400(8) 0.0329(8) 0.0299(8) 0.0080(6) -0.0001(7) 0.0041(6)
C8 0.0369(8) 0.0397(9) 0.0403(9) 0.0059(7) -0.0067(7) -0.0057(7)
C9 0.0439(9) 0.0308(8) 0.0352(8) -0.0013(6) -0.0070(7) -0.0051(7)
C10 0.0379(8) 0.0265(7) 0.0327(8) 0.0008(6) 0.0001(7) 0.0000(6)
C11 0.0466(9) 0.0299(8) 0.0391(9) -0.0033(7) 0.0016(7) 0.0047(7)
C12 0.0491(9) 0.0409(9) 0.0335(9) -0.0052(7) 0.0060(7) 0.0040(7)
C13 0.0377(8) 0.0347(8) 0.0316(8) 0.0015(7) 0.0013(7) -0.0038(7)
C14 0.0523(10) 0.0460(10) 0.0320(9) 0.0024(7) 0.0053(7) -0.0026(8)
C15 0.0630(11) 0.0493(10) 0.0331(9) 0.0122(8) -0.0023(8) -0.0007(9)
C16 0.0605(11) 0.0370(9) 0.0427(10) 0.0095(7) -0.0054(8) 0.0062(8)
C17 0.0481(9) 0.0315(8) 0.0356(8) 0.0019(7) -0.0004(7) 0.0019(7)
C18 0.0357(8) 0.0282(8) 0.0313(8) 0.0021(6) -0.0016(6) -0.0036(6)
C19 0.0403(8) 0.0230(7) 0.0342(8) 0.0015(6) -0.0017(7) -0.0020(6)
C20 0.0425(9) 0.0460(10) 0.0416(9) 0.0113(7) 0.0025(8) 0.0033(7)
C21 0.0573(11) 0.0515(10) 0.0379(10) 0.0118(8) 0.0009(8) 0.0003(8)
C22 0.0608(11) 0.0361(9) 0.0414(10) 0.0066(7) -0.0121(8) -0.0010(8)
C23 0.0435(9) 0.0407(9) 0.0549(11) 0.0043(8) -0.0088(8) 0.0034(7)
C24 0.0427(9) 0.0342(8) 0.0433(9) 0.0024(7) 0.0003(7) -0.0010(7)
C25 0.0455(9) 0.0342(9) 0.0539(10) 0.0043(7) -0.0010(8) -0.0105(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 C25 1.4236(17) . ?
O1 C1 1.4397(16) . ?
C1 C2 1.528(2) . ?
C1 C18 1.5396(19) . ?
C1 C10 1.5646(19) . ?
C2 C3 1.381(2) . ?
C2 C7 1.403(2) . ?
C3 C4 1.389(2) . ?
C4 C5 1.377(2) . ?
C5 C6 1.383(2) . ?
C6 C7 1.393(2) . ?
C7 C8 1.462(2) . ?
C8 C9 1.327(2) . ?
C9 C10 1.517(2) . ?
C10 C11 1.516(2) . ?
C10 C19 1.5452(19) . ?
C11 C12 1.321(2) . ?
C12 C13 1.459(2) . ?
C13 C14 1.390(2) . ?
C13 C18 1.403(2) . ?
C14 C15 1.380(2) . ?
C15 C16 1.378(2) . ?
C16 C17 1.387(2) . ?
C17 C18 1.385(2) . ?
C19 C20 1.386(2) . ?
C19 C24 1.385(2) . ?
C20 C21 1.391(2) . ?
C21 C22 1.372(2) . ?
C22 C23 1.376(2) . ?
C23 C24 1.385(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
C25 O1 C1 118.48(11) . . ?
O1 C1 C2 111.17(11) . . ?
O1 C1 C18 110.23(11) . . ?
C2 C1 C18 109.92(11) . . ?
O1 C1 C10 105.62(11) . . ?
C2 C1 C10 109.41(11) . . ?
C18 C1 C10 110.42(11) . . ?
C3 C2 C7 119.13(14) . . ?
C3 C2 C1 123.37(13) . . ?
C7 C2 C1 117.41(13) . . ?
C2 C3 C4 120.46(15) . . ?
C5 C4 C3 120.54(16) . . ?
C4 C5 C6 119.67(16) . . ?
C5 C6 C7 120.38(16) . . ?
C6 C7 C2 119.77(14) . . ?
C6 C7 C8 121.57(14) . . ?
C2 C7 C8 118.35(13) . . ?
C9 C8 C7 120.88(14) . . ?
C8 C9 C10 123.00(13) . . ?
C11 C10 C9 106.48(12) . . ?
C11 C10 C19 111.03(12) . . ?
C9 C10 C19 110.97(12) . . ?
C11 C10 C1 109.66(12) . . ?
C9 C10 C1 107.66(12) . . ?
C19 C10 C1 110.89(11) . . ?
C12 C11 C10 123.01(14) . . ?
C11 C12 C13 121.47(14) . . ?
C14 C13 C18 119.21(14) . . ?
C14 C13 C12 121.58(14) . . ?
C18 C13 C12 119.15(13) . . ?
C15 C14 C13 121.15(15) . . ?
C16 C15 C14 119.68(15) . . ?
C15 C16 C17 119.91(15) . . ?
C18 C17 C16 121.04(15) . . ?
C17 C18 C13 119.00(13) . . ?
C17 C18 C1 121.95(13) . . ?
C13 C18 C1 118.86(12) . . ?
C20 C19 C24 117.60(14) . . ?
C20 C19 C10 121.29(13) . . ?
C24 C19 C10 121.12(14) . . ?
C19 C20 C21 121.18(15) . . ?
C22 C21 C20 120.34(16) . . ?
C21 C22 C23 119.11(15) . . ?
C22 C23 C24 120.57(16) . . ?
C23 C24 C19 121.16(16) . . ?

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
C25 O1 C1 C2 -91.91(14) . . . . ?
C25 O1 C1 C18 30.24(16) . . . . ?
C25 O1 C1 C10 149.51(12) . . . . ?
O1 C1 C2 C3 20.79(18) . . . . ?
C18 C1 C2 C3 -101.53(15) . . . . ?
C10 C1 C2 C3 137.06(14) . . . . ?
O1 C1 C2 C7 -162.63(11) . . . . ?
C18 C1 C2 C7 75.05(15) . . . . ?
C10 C1 C2 C7 -46.36(16) . . . . ?
C7 C2 C3 C4 -2.1(2) . . . . ?
C1 C2 C3 C4 174.45(13) . . . . ?
C2 C3 C4 C5 0.5(2) . . . . ?
C3 C4 C5 C6 0.7(2) . . . . ?
C4 C5 C6 C7 -0.1(2) . . . . ?
C5 C6 C7 C2 -1.5(2) . . . . ?
C5 C6 C7 C8 172.01(14) . . . . ?
C3 C2 C7 C6 2.6(2) . . . . ?
C1 C2 C7 C6 -174.15(12) . . . . ?
C3 C2 C7 C8 -171.12(13) . . . . ?
C1 C2 C7 C8 12.15(19) . . . . ?
C6 C7 C8 C9 -157.65(15) . . . . ?
C2 C7 C8 C9 15.9(2) . . . . ?
C7 C8 C9 C10 -5.8(2) . . . . ?
C8 C9 C10 C11 -146.43(14) . . . . ?
C8 C9 C10 C19 92.63(17) . . . . ?
C8 C9 C10 C1 -28.89(19) . . . . ?
O1 C1 C10 C11 -72.93(14) . . . . ?
C2 C1 C10 C11 167.33(11) . . . . ?
C18 C1 C10 C11 46.22(16) . . . . ?
O1 C1 C10 C9 171.60(11) . . . . ?
C2 C1 C10 C9 51.86(15) . . . . ?
C18 C1 C10 C9 -69.25(14) . . . . ?
O1 C1 C10 C19 50.04(15) . . . . ?
C2 C1 C10 C19 -69.70(15) . . . . ?
C18 C1 C10 C19 169.19(11) . . . . ?
C9 C10 C11 C12 86.08(17) . . . . ?
C19 C10 C11 C12 -153.02(15) . . . . ?
C1 C10 C11 C12 -30.1(2) . . . . ?
C10 C11 C12 C13 0.0(2) . . . . ?
C11 C12 C13 C14 -165.07(16) . . . . ?
C11 C12 C13 C18 12.3(2) . . . . ?
C18 C13 C14 C15 -0.9(2) . . . . ?
C12 C13 C14 C15 176.43(15) . . . . ?
C13 C14 C15 C16 0.1(3) . . . . ?
C14 C15 C16 C17 0.4(3) . . . . ?
C15 C16 C17 C18 0.1(3) . . . . ?
C16 C17 C18 C13 -0.9(2) . . . . ?
C16 C17 C18 C1 174.02(14) . . . . ?
C14 C13 C18 C17 1.3(2) . . . . ?
C12 C13 C18 C17 -176.11(14) . . . . ?
C14 C13 C18 C1 -173.75(13) . . . . ?
C12 C13 C18 C1 8.8(2) . . . . ?
O1 C1 C18 C17 -96.84(16) . . . . ?
C2 C1 C18 C17 26.04(18) . . . . ?
C10 C1 C18 C17 146.85(14) . . . . ?
O1 C1 C18 C13 78.08(15) . . . . ?
C2 C1 C18 C13 -159.04(12) . . . . ?
C10 C1 C18 C13 -38.24(18) . . . . ?
C11 C10 C19 C20 -154.60(13) . . . . ?
C9 C10 C19 C20 -36.38(18) . . . . ?
C1 C10 C19 C20 83.22(16) . . . . ?
C11 C10 C19 C24 25.31(18) . . . . ?
C9 C10 C19 C24 143.53(14) . . . . ?
C1 C10 C19 C24 -96.87(16) . . . . ?
C24 C19 C20 C21 0.2(2) . . . . ?
C10 C19 C20 C21 -179.88(14) . . . . ?
C19 C20 C21 C22 -2.0(3) . . . . ?
C20 C21 C22 C23 1.9(3) . . . . ?
C21 C22 C23 C24 -0.1(2) . . . . ?
C22 C23 C24 C19 -1.7(2) . . . . ?
C20 C19 C24 C23 1.6(2) . . . . ?
C10 C19 C24 C23 -178.32(14) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.167
_refine_diff_density_min         -0.132
_refine_diff_density_rms         0.030