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


data_global
_journal_name_full               Chem.Commun.
_journal_coden_cambridge         0182
#TrackingRef 'gui55pub.cif'

# 1. SUBMISSION DETAILS

_publ_contact_author             
;
Prof. Dr. Patrick J. Guiry
School of Chemistry and Chemical Biology
University College Dublin
Belfield
Dublin 4
Ireland
;
_publ_contact_author_phone       '00353 1 716-2420'
_publ_contact_author_fax         '00353 1 716-1178'
_publ_contact_author_email       patrick.guiry@ucd.ie
_publ_requested_coeditor_name    ?

# 2. TITLE AND AUTHOR LIST

_publ_section_title              
;

;

loop_
_publ_author_name
_publ_author_address
'Michael Carrol'
; School of Chemistry and Chemical Biology
University College Dublin
Belfield
Dublin 4
Ireland
;
H.Muller-Bunz
; School of Chemistry and Chemical Biology
University College Dublin
Belfield
Dublin 4
Ireland
;
'Patrick J. Guiry'
; School of Chemistry and Chemical Biology
University College Dublin
Belfield
Dublin 4
Ireland
;
#===END_data_global
#TrackingRef 'gui55pub.cif'

data_gui55(9c)
_database_code_depnum_ccdc_archive 'CCDC 894384'
#TrackingRef 'gui55pub.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C18 H18 O5'
_chemical_formula_sum            'C18 H18 O5'
_chemical_formula_weight         314.32
_chemical_absolute_configuration ad

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'
O O 0.0492 0.0322 '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'
_symmetry_space_group_name_Hall  'P 2yb'

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

_cell_length_a                   9.2264(1)
_cell_length_b                   6.84999(9)
_cell_length_c                   12.2116(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.843(1)
_cell_angle_gamma                90.00
_cell_volume                     760.421(18)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5543
_cell_measurement_theta_min      3.6706
_cell_measurement_theta_max      76.8889

_exptl_crystal_description       rod
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.3109
_exptl_crystal_size_mid          0.1595
_exptl_crystal_size_min          0.1000
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             332
_exptl_absorpt_coefficient_mu    0.828
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.859
_exptl_absorpt_correction_T_max  0.941
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug 2 2010,13:00:58)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;

_exptl_special_details           
;
1388 Friedel pairs were measured.
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_detector_area_resol_mean 10.3196
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6757
_diffrn_reflns_av_R_equivalents  0.0155
_diffrn_reflns_av_sigmaI/netI    0.0176
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.67
_diffrn_reflns_theta_max         77.09
_reflns_number_total             3111
_reflns_number_gt                3033
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug 2 2010,13:00:58)
;
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug 2 2010,13:00:58)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug 2 2010,13:00:58)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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^ > 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^)+(0.0516P)^2^+0.0945P] 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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.06(12)
_refine_ls_number_reflns         3111
_refine_ls_number_parameters     211
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0302
_refine_ls_R_factor_gt           0.0292
_refine_ls_wR_factor_ref         0.0785
_refine_ls_wR_factor_gt          0.0767
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_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
C1 C -0.14958(11) 0.7305(2) 0.05738(9) 0.0168(2) Uani 1 1 d . . .
O1 O -0.06351(9) 0.89141(14) 0.07910(7) 0.01969(18) Uani 1 1 d . . .
C2 C -0.11995(12) 0.55398(19) 0.11480(9) 0.0160(2) Uani 1 1 d . . .
C3 C -0.21295(13) 0.3936(2) 0.08609(10) 0.0203(2) Uani 1 1 d . . .
H3 H -0.1930 0.2736 0.1247 0.024 Uiso 1 1 calc R . .
C4 C -0.33344(13) 0.4086(2) 0.00198(10) 0.0245(3) Uani 1 1 d . . .
H4 H -0.3967 0.2998 -0.0167 0.029 Uiso 1 1 calc R . .
C5 C -0.36164(14) 0.5849(2) -0.05541(10) 0.0241(3) Uani 1 1 d . . .
H5 H -0.4437 0.5947 -0.1138 0.029 Uiso 1 1 calc R . .
C6 C -0.27144(13) 0.7454(2) -0.02818(9) 0.0215(3) Uani 1 1 d . . .
H6 H -0.2920 0.8649 -0.0672 0.026 Uiso 1 1 calc R . .
C7 C 0.01595(12) 0.53039(18) 0.19839(10) 0.0153(2) Uani 1 1 d . . .
O2 O 0.04812(10) 0.37679(14) 0.24615(7) 0.02114(18) Uani 1 1 d . . .
C8 C 0.11619(11) 0.7089(2) 0.21387(8) 0.0153(2) Uani 1 1 d . . .
H8 H 0.1827 0.6992 0.1574 0.018 Uiso 1 1 calc R . .
C9 C 0.02596(13) 0.8960(2) 0.18839(10) 0.0186(2) Uani 1 1 d . . .
H9A H -0.0384 0.9134 0.2448 0.022 Uiso 1 1 calc R . .
H9B H 0.0934 1.0093 0.1935 0.022 Uiso 1 1 calc R . .
C10 C 0.21340(11) 0.7140(2) 0.32675(8) 0.0144(2) Uani 1 1 d . . .
C11 C 0.15372(11) 0.7148(2) 0.42495(9) 0.0149(2) Uani 1 1 d . . .
O3 O 0.00330(8) 0.71028(15) 0.40941(6) 0.01767(17) Uani 1 1 d . . .
C16 C -0.06504(12) 0.7112(2) 0.50622(9) 0.0203(2) Uani 1 1 d . . .
H16A H -0.0310 0.5982 0.5528 0.030 Uiso 1 1 calc R . .
H16B H -0.1721 0.7046 0.4837 0.030 Uiso 1 1 calc R . .
H16C H -0.0387 0.8315 0.5484 0.030 Uiso 1 1 calc R . .
C12 C 0.24131(12) 0.7174(2) 0.52983(9) 0.0167(2) Uani 1 1 d . . .
H12 H 0.1982 0.7184 0.5951 0.020 Uiso 1 1 calc R . .
C13 C 0.39393(11) 0.7186(2) 0.53686(9) 0.0159(2) Uani 1 1 d . . .
O4 O 0.47286(8) 0.72053(17) 0.64209(6) 0.01998(18) Uani 1 1 d . . .
C17 C 0.62991(12) 0.7243(2) 0.65239(9) 0.0190(2) Uani 1 1 d . . .
H17A H 0.6635 0.6045 0.6207 0.029 Uiso 1 1 calc R . .
H17B H 0.6742 0.7334 0.7311 0.029 Uiso 1 1 calc R . .
H17C H 0.6594 0.8377 0.6124 0.029 Uiso 1 1 calc R . .
C14 C 0.45821(11) 0.7168(2) 0.44183(9) 0.0158(2) Uani 1 1 d . . .
H14 H 0.5622 0.7174 0.4474 0.019 Uiso 1 1 calc R . .
C15 C 0.36700(11) 0.7142(2) 0.33801(8) 0.0144(2) Uani 1 1 d . . .
O5 O 0.42195(8) 0.70839(17) 0.24102(6) 0.01943(17) Uani 1 1 d . . .
C18 C 0.57847(12) 0.7086(3) 0.24851(9) 0.0234(2) Uani 1 1 d . . .
H18A H 0.6190 0.8293 0.2845 0.035 Uiso 1 1 calc R . .
H18B H 0.6032 0.7005 0.1737 0.035 Uiso 1 1 calc R . .
H18C H 0.6204 0.5961 0.2925 0.035 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
C1 0.0131(4) 0.0228(6) 0.0150(5) -0.0011(5) 0.0035(4) -0.0006(5)
O1 0.0173(4) 0.0201(4) 0.0198(4) 0.0046(3) -0.0021(3) -0.0016(3)
C2 0.0134(5) 0.0212(6) 0.0138(5) -0.0020(4) 0.0029(4) 0.0010(4)
C3 0.0197(5) 0.0228(6) 0.0186(5) -0.0033(5) 0.0039(4) -0.0027(5)
C4 0.0190(6) 0.0331(7) 0.0214(5) -0.0072(5) 0.0032(4) -0.0067(5)
C5 0.0159(5) 0.0404(8) 0.0153(5) -0.0039(5) 0.0005(4) -0.0010(5)
C6 0.0170(5) 0.0305(8) 0.0167(5) 0.0020(5) 0.0023(4) 0.0021(5)
C7 0.0138(5) 0.0168(6) 0.0153(5) -0.0021(4) 0.0024(4) 0.0006(4)
O2 0.0223(4) 0.0154(4) 0.0237(4) 0.0000(3) -0.0017(3) 0.0016(3)
C8 0.0126(4) 0.0167(5) 0.0162(5) -0.0002(5) 0.0013(4) -0.0004(5)
C9 0.0170(5) 0.0172(6) 0.0198(5) 0.0011(5) -0.0022(4) -0.0007(5)
C10 0.0127(5) 0.0128(5) 0.0170(5) -0.0004(5) 0.0011(4) 0.0005(5)
C11 0.0115(4) 0.0128(5) 0.0203(5) -0.0010(5) 0.0028(4) -0.0010(5)
O3 0.0113(4) 0.0233(4) 0.0188(4) -0.0014(4) 0.0037(3) -0.0006(4)
C16 0.0160(5) 0.0239(5) 0.0227(5) 0.0002(6) 0.0082(4) 0.0000(6)
C12 0.0160(5) 0.0179(5) 0.0168(5) -0.0009(5) 0.0049(4) -0.0005(5)
C13 0.0162(5) 0.0148(5) 0.0156(5) -0.0010(5) 0.0001(4) -0.0003(5)
O4 0.0152(4) 0.0294(4) 0.0147(4) -0.0010(4) 0.0006(3) -0.0016(4)
C17 0.0145(5) 0.0229(6) 0.0180(5) 0.0007(5) -0.0019(4) -0.0013(5)
C14 0.0122(4) 0.0162(5) 0.0188(5) 0.0001(5) 0.0023(4) 0.0003(5)
C15 0.0139(5) 0.0131(5) 0.0164(5) 0.0009(5) 0.0028(4) 0.0011(5)
O5 0.0114(4) 0.0320(4) 0.0152(3) 0.0010(4) 0.0031(3) 0.0010(4)
C18 0.0124(5) 0.0396(7) 0.0186(5) 0.0023(6) 0.0042(4) 0.0023(6)

_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
C1 O1 1.3581(16) . ?
C1 C2 1.4009(18) . ?
C1 C6 1.4017(15) . ?
O1 C9 1.4446(14) . ?
C2 C3 1.4011(17) . ?
C2 C7 1.4842(15) . ?
C3 C4 1.3824(17) . ?
C3 H3 0.9500 . ?
C4 C5 1.399(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.3845(19) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 O2 1.2149(16) . ?
C7 C8 1.5251(17) . ?
C8 C10 1.5110(13) . ?
C8 C9 1.5313(17) . ?
C8 H8 1.0000 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C15 1.4003(14) . ?
C10 C11 1.4025(14) . ?
C11 O3 1.3686(12) . ?
C11 C12 1.3928(14) . ?
O3 C16 1.4318(13) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C12 C13 1.3961(14) . ?
C12 H12 0.9500 . ?
C13 O4 1.3645(12) . ?
C13 C14 1.3906(15) . ?
O4 C17 1.4331(13) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C14 C15 1.3968(14) . ?
C14 H14 0.9500 . ?
C15 O5 1.3663(12) . ?
O5 C18 1.4314(13) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 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 C1 C2 123.04(10) . . ?
O1 C1 C6 117.01(11) . . ?
C2 C1 C6 119.94(11) . . ?
C1 O1 C9 114.89(9) . . ?
C1 C2 C3 119.52(10) . . ?
C1 C2 C7 120.52(10) . . ?
C3 C2 C7 119.73(11) . . ?
C4 C3 C2 120.54(12) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C3 C4 C5 119.57(12) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C6 C5 C4 120.85(11) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C5 C6 C1 119.58(12) . . ?
C5 C6 H6 120.2 . . ?
C1 C6 H6 120.2 . . ?
O2 C7 C2 122.19(11) . . ?
O2 C7 C8 122.79(10) . . ?
C2 C7 C8 114.90(10) . . ?
C10 C8 C7 112.62(10) . . ?
C10 C8 C9 112.52(10) . . ?
C7 C8 C9 110.42(8) . . ?
C10 C8 H8 107.0 . . ?
C7 C8 H8 107.0 . . ?
C9 C8 H8 107.0 . . ?
O1 C9 C8 111.98(10) . . ?
O1 C9 H9A 109.2 . . ?
C8 C9 H9A 109.2 . . ?
O1 C9 H9B 109.2 . . ?
C8 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
C15 C10 C11 117.04(9) . . ?
C15 C10 C8 121.51(9) . . ?
C11 C10 C8 121.44(9) . . ?
O3 C11 C12 122.89(10) . . ?
O3 C11 C10 114.73(9) . . ?
C12 C11 C10 122.37(9) . . ?
C11 O3 C16 117.68(8) . . ?
O3 C16 H16A 109.5 . . ?
O3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C11 C12 C13 118.50(10) . . ?
C11 C12 H12 120.7 . . ?
C13 C12 H12 120.7 . . ?
O4 C13 C14 123.43(9) . . ?
O4 C13 C12 115.36(9) . . ?
C14 C13 C12 121.22(10) . . ?
C13 O4 C17 116.85(8) . . ?
O4 C17 H17A 109.5 . . ?
O4 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O4 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C14 C15 118.74(9) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 H14 120.6 . . ?
O5 C15 C14 122.14(9) . . ?
O5 C15 C10 115.73(9) . . ?
C14 C15 C10 122.13(9) . . ?
C15 O5 C18 117.68(8) . . ?
O5 C18 H18A 109.5 . . ?
O5 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
O5 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?

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 C1 O1 C9 -22.04(15) . . . . ?
C6 C1 O1 C9 159.05(10) . . . . ?
O1 C1 C2 C3 -178.96(10) . . . . ?
C6 C1 C2 C3 -0.09(17) . . . . ?
O1 C1 C2 C7 -4.49(17) . . . . ?
C6 C1 C2 C7 174.39(10) . . . . ?
C1 C2 C3 C4 -0.15(17) . . . . ?
C7 C2 C3 C4 -174.67(11) . . . . ?
C2 C3 C4 C5 0.58(18) . . . . ?
C3 C4 C5 C6 -0.78(18) . . . . ?
C4 C5 C6 C1 0.54(18) . . . . ?
O1 C1 C6 C5 178.83(10) . . . . ?
C2 C1 C6 C5 -0.11(17) . . . . ?
C1 C2 C7 O2 -176.75(11) . . . . ?
C3 C2 C7 O2 -2.29(17) . . . . ?
C1 C2 C7 C8 -0.57(15) . . . . ?
C3 C2 C7 C8 173.90(10) . . . . ?
O2 C7 C8 C10 -28.17(16) . . . . ?
C2 C7 C8 C10 155.67(9) . . . . ?
O2 C7 C8 C9 -154.89(11) . . . . ?
C2 C7 C8 C9 28.95(13) . . . . ?
C1 O1 C9 C8 51.98(13) . . . . ?
C10 C8 C9 O1 178.45(9) . . . . ?
C7 C8 C9 O1 -54.77(12) . . . . ?
C7 C8 C10 C15 120.06(12) . . . . ?
C9 C8 C10 C15 -114.35(13) . . . . ?
C7 C8 C10 C11 -58.62(16) . . . . ?
C9 C8 C10 C11 66.97(15) . . . . ?
C15 C10 C11 O3 -178.67(12) . . . . ?
C8 C10 C11 O3 0.06(18) . . . . ?
C15 C10 C11 C12 0.58(19) . . . . ?
C8 C10 C11 C12 179.31(12) . . . . ?
C12 C11 O3 C16 0.90(18) . . . . ?
C10 C11 O3 C16 -179.86(12) . . . . ?
O3 C11 C12 C13 178.92(12) . . . . ?
C10 C11 C12 C13 -0.3(2) . . . . ?
C11 C12 C13 O4 -179.80(12) . . . . ?
C11 C12 C13 C14 -0.1(2) . . . . ?
C14 C13 O4 C17 1.1(2) . . . . ?
C12 C13 O4 C17 -179.21(12) . . . . ?
O4 C13 C14 C15 179.80(12) . . . . ?
C12 C13 C14 C15 0.1(2) . . . . ?
C13 C14 C15 O5 -178.63(12) . . . . ?
C13 C14 C15 C10 0.2(2) . . . . ?
C11 C10 C15 O5 178.37(12) . . . . ?
C8 C10 C15 O5 -0.36(18) . . . . ?
C11 C10 C15 C14 -0.56(19) . . . . ?
C8 C10 C15 C14 -179.29(13) . . . . ?
C14 C15 O5 C18 -1.14(19) . . . . ?
C10 C15 O5 C18 179.93(12) . . . . ?

_diffrn_measured_fraction_theta_max 0.989
_diffrn_reflns_theta_full        77.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.199
_refine_diff_density_min         -0.192
_refine_diff_density_rms         0.041