# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry
# This journal is © The Royal Society of Chemistry 2011


data_global
_journal_name_full               Org.Biomol.Chem.
_journal_coden_cambridge         0177
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_name        'Guy Clarkson'
_publ_contact_author_email       guy.clarkson@warwick.ac.uk
loop_
_publ_author_name
'Karen Griffin'
'Cyril Montagne'
'Cam Hoang'
'Guy J. Clarkson'
'Michael Shipman'

data_kg1
_database_code_depnum_ccdc_archive 'CCDC 842811'
#TrackingRef 'web_deposit_cif_file_0_GuyClarkson_1314985660.kg1.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C24 H31 N O'
_chemical_formula_sum            'C24 H31 N O'
_chemical_formula_weight         349.50

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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/c
_symmetry_space_group_name_Hall  '-P 2ybc'

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                   11.4815(14)
_cell_length_b                   17.5731(15)
_cell_length_c                   10.4720(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 105.993(11)
_cell_angle_gamma                90.00
_cell_volume                     2031.1(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3262
_cell_measurement_theta_min      4.00
_cell_measurement_theta_max      70.77

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.143
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             760
_exptl_absorpt_coefficient_mu    0.523
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.56
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_process_details   'ABSPACK(CrysAlis, Oxford Diffraction)'

_exptl_special_details           
;
The temperature of the crystal was controlled using the Oxford
Cryosystem Cobra.
The data collection nominally covered over a hemisphere of
Reciprocal space, by a combination of 25 sets of exposures with
different \f angles for the crystal; each 5 s at low angle and 20 s at
high angle exposure covered 1.0\% in \w.
The crystal-to-detector distance was 5.5 cm.
Crystal decay was found to be negligible by by repeating the initial
frames at the end of data collection and analyzing the duplicate
reflections.

Hydrogen atoms were added at calculated positions and refined using
a riding model. Anisotropic displacement parameters were used for all
non-H atoms; H-atoms were given isotropic displacement parameter equal
to 1.2 (or 1.5 for methyl H-atoms) times the equivalent isotropic
displacement parameter of the atom to which they are attached.

The crystals were quite large but of poor quality and very weakly
diffracting requiring data aquisition with Cu radiation.
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R'
_diffrn_measurement_method       '\f & \w scans'
_diffrn_detector_area_resol_mean 10.2833
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        nil
_diffrn_reflns_number            10496
_diffrn_reflns_av_R_equivalents  0.0901
_diffrn_reflns_av_sigmaI/netI    0.0363
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         4.01
_diffrn_reflns_theta_max         70.91
_reflns_number_total             3819
_reflns_number_gt                3014
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd'
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997)'

_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^)+(0.1641P)^2^+0.1533P] 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     SHELXL
_refine_ls_extinction_coef       0.0062(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_number_reflns         3819
_refine_ls_number_parameters     239
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0849
_refine_ls_R_factor_gt           0.0746
_refine_ls_wR_factor_ref         0.2554
_refine_ls_wR_factor_gt          0.2304
_refine_ls_goodness_of_fit_ref   1.150
_refine_ls_restrained_S_all      1.150
_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
C1 C 0.2845(3) 0.55553(13) 0.1448(3) 0.0780(7) Uani 1 1 d . . .
H1 H 0.3683 0.5466 0.1557 0.094 Uiso 1 1 calc R . .
C2 C 0.2154(4) 0.58758(15) 0.0283(3) 0.0953(10) Uani 1 1 d . . .
H2 H 0.2521 0.6011 -0.0395 0.114 Uiso 1 1 calc R . .
C3 C 0.0946(4) 0.60005(16) 0.0097(3) 0.1018(10) Uani 1 1 d . . .
H3 H 0.0469 0.6216 -0.0710 0.122 Uiso 1 1 calc R . .
C4 C 0.0419(3) 0.58108(16) 0.1093(3) 0.0919(8) Uani 1 1 d . . .
H4 H -0.0420 0.5900 0.0975 0.110 Uiso 1 1 calc R . .
C5 C 0.1116(2) 0.54904(13) 0.2261(2) 0.0700(6) Uani 1 1 d . . .
H5 H 0.0746 0.5357 0.2937 0.084 Uiso 1 1 calc R . .
C6 C 0.23408(19) 0.53609(10) 0.2462(2) 0.0579(5) Uani 1 1 d . . .
C7 C 0.31139(18) 0.50471(11) 0.3757(2) 0.0593(5) Uani 1 1 d . . .
H7A H 0.3895 0.4873 0.3633 0.071 Uiso 1 1 calc R . .
H7B H 0.3289 0.5459 0.4428 0.071 Uiso 1 1 calc R . .
N8 N 0.25401(14) 0.44155(8) 0.42531(15) 0.0514(5) Uani 1 1 d . . .
C9 C 0.31110(17) 0.41914(11) 0.56339(18) 0.0538(5) Uani 1 1 d . . .
H9 H 0.3959 0.4031 0.5685 0.065 Uiso 1 1 calc R . .
C10 C 0.2399(2) 0.34638(12) 0.5759(2) 0.0618(6) Uani 1 1 d . . .
H10 H 0.2944 0.3095 0.6370 0.074 Uiso 1 1 calc R . .
C11 C 0.1207(3) 0.35513(16) 0.6152(3) 0.0899(9) Uani 1 1 d . . .
H11A H 0.1346 0.3475 0.7119 0.108 Uiso 1 1 calc R . .
H11B H 0.0852 0.4062 0.5909 0.108 Uiso 1 1 calc R . .
C12 C 0.0391(3) 0.29424(16) 0.5379(3) 0.0887(9) Uani 1 1 d . . .
H12A H -0.0468 0.3045 0.5328 0.106 Uiso 1 1 calc R . .
H12B H 0.0618 0.2434 0.5775 0.106 Uiso 1 1 calc R . .
C13 C 0.0621(2) 0.30046(16) 0.4021(3) 0.0789(7) Uani 1 1 d . . .
H13A H 0.0172 0.3439 0.3514 0.095 Uiso 1 1 calc R . .
H13B H 0.0377 0.2532 0.3501 0.095 Uiso 1 1 calc R . .
C14 C 0.19946(19) 0.31296(11) 0.4337(2) 0.0590(5) Uani 1 1 d . . .
H14 H 0.2412 0.2633 0.4307 0.071 Uiso 1 1 calc R . .
C15 C 0.23803(17) 0.37137(10) 0.34380(19) 0.0527(5) Uani 1 1 d . . .
H15 H 0.1683 0.3794 0.2633 0.063 Uiso 1 1 calc R . .
C16 C 0.34799(17) 0.34771(10) 0.29781(19) 0.0519(5) Uani 1 1 d . . .
C17 C 0.35145(19) 0.36491(11) 0.16946(19) 0.0558(5) Uani 1 1 d . . .
H17 H 0.2845 0.3904 0.1115 0.067 Uiso 1 1 calc R . .
C18 C 0.44961(19) 0.34595(11) 0.12374(19) 0.0572(5) Uani 1 1 d . . .
H18 H 0.4500 0.3593 0.0360 0.069 Uiso 1 1 calc R . .
C19 C 0.54714(18) 0.30765(10) 0.20509(19) 0.0534(5) Uani 1 1 d . . .
C20 C 0.54628(19) 0.28876(12) 0.3328(2) 0.0590(5) Uani 1 1 d . . .
H20 H 0.6129 0.2624 0.3897 0.071 Uiso 1 1 calc R . .
C21 C 0.44667(19) 0.30872(12) 0.3774(2) 0.0591(5) Uani 1 1 d . . .
H21 H 0.4463 0.2952 0.4652 0.071 Uiso 1 1 calc R . .
O22 O 0.63987(14) 0.29213(9) 0.15022(16) 0.0685(5) Uani 1 1 d . . .
C23 C 0.7372(2) 0.24729(17) 0.2217(3) 0.0903(9) Uani 1 1 d . . .
H23A H 0.7985 0.2442 0.1728 0.136 Uiso 1 1 calc R . .
H23B H 0.7080 0.1961 0.2334 0.136 Uiso 1 1 calc R . .
H23C H 0.7730 0.2703 0.3090 0.136 Uiso 1 1 calc R . .
C24 C 0.3199(2) 0.48359(13) 0.6652(2) 0.0642(6) Uani 1 1 d . . .
H24 H 0.3858 0.5181 0.6544 0.077 Uiso 1 1 calc R . .
C25 C 0.2080(2) 0.53378(15) 0.6482(3) 0.0783(7) Uani 1 1 d . . .
H25A H 0.2310 0.5811 0.6982 0.117 Uiso 1 1 calc R . .
H25B H 0.1477 0.5068 0.6816 0.117 Uiso 1 1 calc R . .
H25C H 0.1735 0.5456 0.5539 0.117 Uiso 1 1 calc R . .
C26 C 0.3635(3) 0.45187(19) 0.8073(3) 0.0860(8) Uani 1 1 d . . .
H26A H 0.3908 0.4939 0.8700 0.129 Uiso 1 1 calc R . .
H26B H 0.4309 0.4165 0.8134 0.129 Uiso 1 1 calc R . .
H26C H 0.2967 0.4250 0.8291 0.129 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 0.1112(19) 0.0537(12) 0.0926(16) 0.0107(11) 0.0677(15) 0.0078(12)
C2 0.168(3) 0.0604(14) 0.0810(16) 0.0133(12) 0.0742(19) 0.0133(17)
C3 0.172(3) 0.0640(15) 0.0716(15) 0.0134(12) 0.0364(17) 0.0258(18)
C4 0.104(2) 0.0792(17) 0.0935(19) 0.0122(14) 0.0278(15) 0.0250(15)
C5 0.0820(15) 0.0630(13) 0.0759(14) 0.0131(10) 0.0400(11) 0.0133(11)
C6 0.0769(13) 0.0377(9) 0.0723(12) 0.0038(8) 0.0425(10) 0.0028(8)
C7 0.0624(11) 0.0482(10) 0.0787(13) 0.0045(9) 0.0384(10) -0.0035(8)
N8 0.0572(9) 0.0433(8) 0.0624(9) 0.0028(6) 0.0314(7) -0.0004(6)
C9 0.0542(10) 0.0522(10) 0.0612(11) 0.0046(8) 0.0264(8) 0.0033(8)
C10 0.0764(13) 0.0501(11) 0.0669(12) 0.0105(8) 0.0333(10) 0.0004(9)
C11 0.109(2) 0.0868(17) 0.1016(19) -0.0138(14) 0.0756(17) -0.0267(15)
C12 0.0945(18) 0.0808(16) 0.114(2) -0.0039(15) 0.0674(16) -0.0220(14)
C13 0.0724(14) 0.0813(16) 0.0947(17) -0.0018(13) 0.0429(12) -0.0158(12)
C14 0.0664(12) 0.0447(10) 0.0774(13) 0.0025(8) 0.0393(10) -0.0022(8)
C15 0.0562(10) 0.0477(10) 0.0615(10) 0.0026(8) 0.0283(8) 0.0007(8)
C16 0.0586(10) 0.0459(9) 0.0587(10) 0.0018(7) 0.0288(8) 0.0013(7)
C17 0.0669(11) 0.0485(10) 0.0575(10) 0.0041(8) 0.0266(8) 0.0080(8)
C18 0.0759(13) 0.0513(10) 0.0534(10) 0.0049(8) 0.0329(9) 0.0061(9)
C19 0.0641(11) 0.0445(9) 0.0626(11) -0.0011(7) 0.0356(9) 0.0014(8)
C20 0.0639(12) 0.0580(11) 0.0619(11) 0.0070(8) 0.0290(9) 0.0114(9)
C21 0.0691(12) 0.0606(11) 0.0567(11) 0.0107(8) 0.0328(9) 0.0100(9)
O22 0.0712(9) 0.0716(10) 0.0774(10) 0.0055(7) 0.0451(8) 0.0117(7)
C23 0.0862(17) 0.0903(19) 0.112(2) 0.0157(16) 0.0572(15) 0.0310(15)
C24 0.0666(12) 0.0638(12) 0.0674(12) -0.0046(9) 0.0272(10) -0.0034(10)
C25 0.0859(16) 0.0680(14) 0.0872(16) -0.0162(12) 0.0344(13) 0.0076(12)
C26 0.0872(17) 0.106(2) 0.0657(13) -0.0056(13) 0.0222(12) -0.0029(14)

_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 C2 1.379(4) . ?
C1 C6 1.385(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.365(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.382(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.384(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.382(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.506(3) . ?
C7 N8 1.458(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
N8 C9 1.467(3) . ?
N8 C15 1.482(2) . ?
C9 C24 1.540(3) . ?
C9 C10 1.542(3) . ?
C9 H9 1.0000 . ?
C10 C11 1.542(3) . ?
C10 C14 1.548(3) . ?
C10 H10 1.0000 . ?
C11 C12 1.504(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.520(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.535(3) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.538(2) . ?
C14 H14 1.0000 . ?
C15 C16 1.528(2) . ?
C15 H15 1.0000 . ?
C16 C21 1.389(3) . ?
C16 C17 1.389(3) . ?
C17 C18 1.381(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.381(3) . ?
C18 H18 0.9500 . ?
C19 O22 1.369(2) . ?
C19 C20 1.381(3) . ?
C20 C21 1.394(3) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
O22 C23 1.403(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.528(3) . ?
C24 C26 1.538(3) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 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
C2 C1 C6 121.3(3) . . ?
C2 C1 H1 119.4 . . ?
C6 C1 H1 119.4 . . ?
C3 C2 C1 120.4(2) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C2 C3 C4 119.5(3) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 119.9(3) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C6 C5 C4 121.2(2) . . ?
C6 C5 H5 119.4 . . ?
C4 C5 H5 119.4 . . ?
C5 C6 C1 117.7(2) . . ?
C5 C6 C7 121.34(17) . . ?
C1 C6 C7 120.9(2) . . ?
N8 C7 C6 112.82(17) . . ?
N8 C7 H7A 109.0 . . ?
C6 C7 H7A 109.0 . . ?
N8 C7 H7B 109.0 . . ?
C6 C7 H7B 109.0 . . ?
H7A C7 H7B 107.8 . . ?
C7 N8 C9 115.64(16) . . ?
C7 N8 C15 115.13(14) . . ?
C9 N8 C15 107.16(14) . . ?
N8 C9 C24 114.29(16) . . ?
N8 C9 C10 101.70(16) . . ?
C24 C9 C10 119.10(15) . . ?
N8 C9 H9 107.0 . . ?
C24 C9 H9 107.0 . . ?
C10 C9 H9 107.0 . . ?
C11 C10 C9 118.03(18) . . ?
C11 C10 C14 103.97(19) . . ?
C9 C10 C14 104.99(15) . . ?
C11 C10 H10 109.8 . . ?
C9 C10 H10 109.8 . . ?
C14 C10 H10 109.8 . . ?
C12 C11 C10 104.6(2) . . ?
C12 C11 H11A 110.8 . . ?
C10 C11 H11A 110.8 . . ?
C12 C11 H11B 110.8 . . ?
C10 C11 H11B 110.8 . . ?
H11A C11 H11B 108.9 . . ?
C11 C12 C13 102.09(19) . . ?
C11 C12 H12A 111.4 . . ?
C13 C12 H12A 111.4 . . ?
C11 C12 H12B 111.4 . . ?
C13 C12 H12B 111.4 . . ?
H12A C12 H12B 109.2 . . ?
C12 C13 C14 104.0(2) . . ?
C12 C13 H13A 111.0 . . ?
C14 C13 H13A 111.0 . . ?
C12 C13 H13B 111.0 . . ?
C14 C13 H13B 111.0 . . ?
H13A C13 H13B 109.0 . . ?
C13 C14 C15 114.56(19) . . ?
C13 C14 C10 106.24(17) . . ?
C15 C14 C10 105.94(16) . . ?
C13 C14 H14 110.0 . . ?
C15 C14 H14 110.0 . . ?
C10 C14 H14 110.0 . . ?
N8 C15 C16 115.21(15) . . ?
N8 C15 C14 102.35(14) . . ?
C16 C15 C14 114.43(15) . . ?
N8 C15 H15 108.2 . . ?
C16 C15 H15 108.2 . . ?
C14 C15 H15 108.2 . . ?
C21 C16 C17 116.90(17) . . ?
C21 C16 C15 123.60(16) . . ?
C17 C16 C15 119.49(17) . . ?
C18 C17 C16 121.77(18) . . ?
C18 C17 H17 119.1 . . ?
C16 C17 H17 119.1 . . ?
C19 C18 C17 120.28(17) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
O22 C19 C18 115.49(17) . . ?
O22 C19 C20 124.92(19) . . ?
C18 C19 C20 119.59(17) . . ?
C19 C20 C21 119.31(19) . . ?
C19 C20 H20 120.3 . . ?
C21 C20 H20 120.3 . . ?
C16 C21 C20 122.13(18) . . ?
C16 C21 H21 118.9 . . ?
C20 C21 H21 118.9 . . ?
C19 O22 C23 118.99(17) . . ?
O22 C23 H23A 109.5 . . ?
O22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 C26 111.2(2) . . ?
C25 C24 C9 116.82(18) . . ?
C26 C24 C9 110.20(19) . . ?
C25 C24 H24 105.9 . . ?
C26 C24 H24 105.9 . . ?
C9 C24 H24 105.9 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.976
_diffrn_reflns_theta_full        68.00
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         0.247
_refine_diff_density_min         -0.294
_refine_diff_density_rms         0.056