# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry
# This journal is © The Royal Society of Chemistry 2012


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#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
# 
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material 
#  of the CCDC or of third parties, and may not be copied or further 
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#  except for the purpose of generating routine backup copies 
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data_4fin
_database_code_depnum_ccdc_archive 'CCDC 894715'
#TrackingRef '13012_web_deposit_cif_file_0_J.CarlosMenendez_1343989048.BASE.cif'


_audit_update_record             
;
2011-12-01 # Formatted by publCIF
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H30 N2'
_chemical_formula_sum            'C26 H30 N2'
_chemical_formula_weight         370.52

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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)
_symmetry_space_group_name_Hall  P2yb

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

_cell_length_a                   10.4429(3)
_cell_length_b                   7.4627(2)
_cell_length_c                   14.1231(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.253(2)
_cell_angle_gamma                90.00
_cell_volume                     1098.87(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    3008
_cell_measurement_theta_min      4.24
_cell_measurement_theta_max      66.26

_exptl_crystal_description       prismatic
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.120
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             400
_exptl_absorpt_coefficient_mu    0.492
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.932
_exptl_absorpt_correction_T_max  0.952
_exptl_absorpt_process_details   'SADABS (Bruker, 2006)'
_exptl_special_details           ?

_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\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            4866
_diffrn_reflns_av_R_equivalents  0.0177
_diffrn_reflns_av_sigmaI/netI    0.0203
_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       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         4.24
_diffrn_reflns_theta_max         67.05
_reflns_number_total             2432
_reflns_number_gt                2316
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'APEX 2 (Bruker 2006)'
_computing_cell_refinement       'SAINT (Bruker 2006)'
_computing_data_reduction        'SAINT (Bruker 2006)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Mercury 2.3 (Macrae et al, 2008)'
_computing_publication_material  'Bruker SHELXTL'
_chemical_absolute_configuration rm

_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^)+(0.0511P)^2^+0.0795P] 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     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.2(6)
_refine_ls_number_reflns         2432
_refine_ls_number_parameters     274
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0338
_refine_ls_R_factor_gt           0.0321
_refine_ls_wR_factor_ref         0.0855
_refine_ls_wR_factor_gt          0.0837
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.046
_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
N1 N 0.67211(18) -0.0166(2) 0.41236(12) 0.0609(5) Uani 1 1 d . . .
N2 N 0.71735(17) 0.2485(3) 0.19887(12) 0.0614(5) Uani 1 1 d . . .
C1 C 0.59476(18) -0.3792(3) 0.37911(15) 0.0589(5) Uani 1 1 d . . .
H1 H 0.6661 -0.3638 0.4208 0.071 Uiso 1 1 calc R . .
C2 C 0.52592(19) -0.5386(3) 0.38014(16) 0.0621(5) Uani 1 1 d . . .
H2 H 0.5512 -0.6271 0.4236 0.075 Uiso 1 1 calc R . .
C3 C 0.42093(19) -0.5688(3) 0.31828(17) 0.0637(5) Uani 1 1 d . . .
C4 C 0.3880(2) -0.4348(3) 0.25348(16) 0.0660(6) Uani 1 1 d . . .
H4 H 0.3196 -0.4531 0.2095 0.079 Uiso 1 1 calc R . .
C5 C 0.45469(18) -0.2741(3) 0.25264(14) 0.0599(5) Uani 1 1 d . . .
H5 H 0.4299 -0.1861 0.2088 0.072 Uiso 1 1 calc R . .
C6 C 0.55802(17) -0.2436(3) 0.31666(13) 0.0518(5) Uani 1 1 d . . .
C7 C 0.62766(18) -0.0657(3) 0.31613(13) 0.0527(5) Uani 1 1 d . . .
C8 C 0.74353(18) -0.0633(3) 0.25563(13) 0.0553(5) Uani 1 1 d . . .
H8A H 0.7180 -0.1002 0.1915 0.066 Uiso 1 1 calc R . .
H8B H 0.8075 -0.1471 0.2812 0.066 Uiso 1 1 calc R . .
C9 C 0.80097(18) 0.1253(3) 0.25415(13) 0.0526(5) Uani 1 1 d . . .
C10 C 0.82354(17) 0.1976(3) 0.35414(13) 0.0482(4) Uani 1 1 d . . .
C11 C 0.90814(18) 0.3415(3) 0.37405(14) 0.0545(5) Uani 1 1 d . . .
C12 C 0.92528(19) 0.4066(3) 0.46559(15) 0.0578(5) Uani 1 1 d . . .
H12 H 0.9829 0.4997 0.4782 0.069 Uiso 1 1 calc R . .
C13 C 0.85827(17) 0.3358(3) 0.53901(13) 0.0513(5) Uani 1 1 d . . .
C14 C 0.77430(17) 0.1974(3) 0.51934(13) 0.0503(4) Uani 1 1 d . . .
H14 H 0.7285 0.1496 0.5680 0.060 Uiso 1 1 calc R . .
C15 C 0.75605(17) 0.1266(3) 0.42791(13) 0.0478(4) Uani 1 1 d . . .
C16 C 0.74436(18) 0.3140(3) 0.10990(13) 0.0526(5) Uani 1 1 d . . .
C17 C 0.6829(2) 0.4695(3) 0.07765(14) 0.0621(5) Uani 1 1 d . . .
H17 H 0.6253 0.5255 0.1159 0.075 Uiso 1 1 calc R . .
C18 C 0.7049(2) 0.5430(4) -0.00959(16) 0.0753(7) Uani 1 1 d . . .
C19 C 0.7916(2) 0.4578(4) -0.06591(15) 0.0786(7) Uani 1 1 d . . .
H19 H 0.8082 0.5060 -0.1247 0.094 Uiso 1 1 calc R . .
C20 C 0.8531(2) 0.3030(4) -0.03563(14) 0.0704(6) Uani 1 1 d . . .
C21 C 0.82836(19) 0.2310(3) 0.05154(13) 0.0601(5) Uani 1 1 d . . .
H21 H 0.8687 0.1253 0.0713 0.072 Uiso 1 1 calc R . .
C22 C 0.3416(3) -0.7356(4) 0.3252(2) 0.0907(8) Uani 1 1 d . . .
H22A H 0.3953 -0.8325 0.3482 0.136 Uiso 1 1 calc R . .
H22B H 0.3038 -0.7654 0.2637 0.136 Uiso 1 1 calc R . .
H22C H 0.2751 -0.7155 0.3682 0.136 Uiso 1 1 calc R . .
C23 C 0.9797(2) 0.4270(4) 0.29561(17) 0.0767(7) Uani 1 1 d . . .
H23A H 1.0441 0.5065 0.3227 0.115 Uiso 1 1 calc R . .
H23B H 0.9207 0.4933 0.2545 0.115 Uiso 1 1 calc R . .
H23C H 1.0198 0.3354 0.2598 0.115 Uiso 1 1 calc R . .
C24 C 0.8794(2) 0.4075(3) 0.63857(15) 0.0663(6) Uani 1 1 d . . .
H24A H 0.8045 0.3854 0.6732 0.099 Uiso 1 1 calc R . .
H24B H 0.8952 0.5341 0.6362 0.099 Uiso 1 1 calc R . .
H24C H 0.9520 0.3486 0.6696 0.099 Uiso 1 1 calc R . .
C25 C 0.6360(4) 0.7122(6) -0.0419(2) 0.1294(13) Uani 1 1 d . . .
H25A H 0.5807 0.7509 0.0062 0.194 Uiso 1 1 calc R . .
H25B H 0.5859 0.6890 -0.0996 0.194 Uiso 1 1 calc R . .
H25C H 0.6977 0.8043 -0.0526 0.194 Uiso 1 1 calc R . .
C26 C 0.9494(3) 0.2141(6) -0.09649(18) 0.1051(11) Uani 1 1 d . . .
H26A H 0.9438 0.2663 -0.1587 0.158 Uiso 1 1 calc R . .
H26B H 0.9313 0.0882 -0.1011 0.158 Uiso 1 1 calc R . .
H26C H 1.0343 0.2313 -0.0683 0.158 Uiso 1 1 calc R . .
H1N H 0.612(2) -0.021(4) 0.4551(19) 0.079(8) Uiso 1 1 d . . .
H2N H 0.673(2) 0.321(4) 0.2316(18) 0.076(8) Uiso 1 1 d . . .
H7 H 0.5669(19) 0.027(3) 0.2893(14) 0.052(5) Uiso 1 1 d . . .
H9 H 0.8886(18) 0.112(3) 0.2215(14) 0.052(5) Uiso 1 1 d . . .

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
N1 0.0684(11) 0.0675(11) 0.0483(9) -0.0084(8) 0.0166(8) -0.0220(9)
N2 0.0652(11) 0.0718(12) 0.0486(9) 0.0113(9) 0.0172(7) 0.0168(9)
C1 0.0503(11) 0.0625(13) 0.0633(12) -0.0057(10) -0.0014(8) 0.0047(9)
C2 0.0613(12) 0.0527(12) 0.0736(14) -0.0037(10) 0.0135(9) 0.0077(9)
C3 0.0580(12) 0.0557(12) 0.0790(14) -0.0199(11) 0.0186(10) -0.0005(10)
C4 0.0547(12) 0.0760(15) 0.0667(14) -0.0235(12) -0.0023(10) -0.0026(10)
C5 0.0612(12) 0.0657(13) 0.0522(11) -0.0066(10) -0.0005(8) 0.0030(10)
C6 0.0482(10) 0.0573(11) 0.0508(10) -0.0089(9) 0.0087(7) 0.0019(8)
C7 0.0536(11) 0.0555(11) 0.0493(10) -0.0039(9) 0.0068(8) 0.0003(9)
C8 0.0578(11) 0.0619(12) 0.0468(10) -0.0034(9) 0.0089(8) 0.0054(9)
C9 0.0515(11) 0.0617(12) 0.0457(10) 0.0065(9) 0.0122(8) 0.0057(9)
C10 0.0466(10) 0.0507(11) 0.0480(10) 0.0061(8) 0.0088(7) 0.0034(8)
C11 0.0529(11) 0.0519(11) 0.0598(12) 0.0113(9) 0.0123(8) -0.0001(9)
C12 0.0582(11) 0.0492(11) 0.0658(12) 0.0044(9) 0.0011(9) -0.0074(9)
C13 0.0523(10) 0.0476(10) 0.0536(11) 0.0018(8) 0.0001(8) 0.0039(8)
C14 0.0531(10) 0.0514(11) 0.0469(10) 0.0030(8) 0.0069(7) -0.0004(8)
C15 0.0484(10) 0.0477(10) 0.0479(10) 0.0023(8) 0.0074(7) -0.0025(8)
C16 0.0553(11) 0.0606(12) 0.0420(10) 0.0011(8) 0.0036(7) 0.0006(9)
C17 0.0692(12) 0.0700(14) 0.0473(11) 0.0019(10) 0.0050(8) 0.0132(11)
C18 0.0932(17) 0.0814(16) 0.0503(12) 0.0107(11) -0.0045(11) 0.0120(13)
C19 0.0920(16) 0.106(2) 0.0381(11) 0.0124(12) 0.0059(10) 0.0084(15)
C20 0.0749(14) 0.0970(18) 0.0394(10) -0.0050(11) 0.0040(9) 0.0100(13)
C21 0.0693(12) 0.0709(13) 0.0404(10) -0.0021(9) 0.0044(8) 0.0105(10)
C22 0.0823(17) 0.0658(16) 0.126(2) -0.0215(16) 0.0226(14) -0.0132(13)
C23 0.0796(15) 0.0751(16) 0.0769(16) 0.0165(12) 0.0183(11) -0.0179(13)
C24 0.0744(14) 0.0592(13) 0.0644(13) -0.0082(10) -0.0036(10) -0.0029(11)
C25 0.175(3) 0.119(3) 0.094(2) 0.043(2) 0.010(2) 0.053(3)
C26 0.113(2) 0.157(3) 0.0467(13) -0.0023(16) 0.0236(12) 0.040(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
N1 C15 1.392(2) . ?
N1 C7 1.458(2) . ?
N1 H1N 0.90(3) . ?
N2 C16 1.392(3) . ?
N2 C9 1.463(3) . ?
N2 H2N 0.86(3) . ?
C1 C6 1.383(3) . ?
C1 C2 1.390(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.381(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.386(3) . ?
C3 C22 1.501(3) . ?
C4 C5 1.387(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.387(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.514(3) . ?
C7 C8 1.521(3) . ?
C7 H7 1.00(2) . ?
C8 C9 1.530(3) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.518(3) . ?
C9 H9 1.05(2) . ?
C10 C15 1.395(3) . ?
C10 C11 1.409(3) . ?
C11 C12 1.383(3) . ?
C11 C23 1.512(3) . ?
C12 C13 1.388(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.373(3) . ?
C13 C24 1.509(3) . ?
C14 C15 1.398(3) . ?
C14 H14 0.9300 . ?
C16 C21 1.384(3) . ?
C16 C17 1.390(3) . ?
C17 C18 1.380(3) . ?
C17 H17 0.9300 . ?
C18 C19 1.392(4) . ?
C18 C25 1.511(4) . ?
C19 C20 1.378(4) . ?
C19 H19 0.9300 . ?
C20 C21 1.381(3) . ?
C20 C26 1.513(3) . ?
C21 H21 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?

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
C15 N1 C7 120.28(16) . . ?
C15 N1 H1N 112.6(17) . . ?
C7 N1 H1N 114.6(16) . . ?
C16 N2 C9 123.87(17) . . ?
C16 N2 H2N 113.8(18) . . ?
C9 N2 H2N 115.4(17) . . ?
C6 C1 C2 120.54(17) . . ?
C6 C1 H1 119.7 . . ?
C2 C1 H1 119.7 . . ?
C3 C2 C1 121.7(2) . . ?
C3 C2 H2 119.1 . . ?
C1 C2 H2 119.1 . . ?
C2 C3 C4 117.3(2) . . ?
C2 C3 C22 121.0(2) . . ?
C4 C3 C22 121.6(2) . . ?
C3 C4 C5 121.60(17) . . ?
C3 C4 H4 119.2 . . ?
C5 C4 H4 119.2 . . ?
C6 C5 C4 120.6(2) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C1 C6 C5 118.23(19) . . ?
C1 C6 C7 121.96(16) . . ?
C5 C6 C7 119.82(19) . . ?
N1 C7 C6 110.07(16) . . ?
N1 C7 C8 107.43(16) . . ?
C6 C7 C8 114.27(17) . . ?
N1 C7 H7 109.9(12) . . ?
C6 C7 H7 108.4(12) . . ?
C8 C7 H7 106.7(12) . . ?
C7 C8 C9 110.10(17) . . ?
C7 C8 H8A 109.6 . . ?
C9 C8 H8A 109.6 . . ?
C7 C8 H8B 109.6 . . ?
C9 C8 H8B 109.6 . . ?
H8A C8 H8B 108.2 . . ?
N2 C9 C10 109.25(17) . . ?
N2 C9 C8 111.26(16) . . ?
C10 C9 C8 110.76(16) . . ?
N2 C9 H9 109.4(11) . . ?
C10 C9 H9 110.4(11) . . ?
C8 C9 H9 105.7(12) . . ?
C15 C10 C11 118.56(17) . . ?
C15 C10 C9 120.11(17) . . ?
C11 C10 C9 121.28(17) . . ?
C12 C11 C10 120.04(18) . . ?
C12 C11 C23 119.56(19) . . ?
C10 C11 C23 120.39(19) . . ?
C11 C12 C13 121.38(19) . . ?
C11 C12 H12 119.3 . . ?
C13 C12 H12 119.3 . . ?
C14 C13 C12 118.58(18) . . ?
C14 C13 C24 120.87(19) . . ?
C12 C13 C24 120.54(18) . . ?
C13 C14 C15 121.53(18) . . ?
C13 C14 H14 119.2 . . ?
C15 C14 H14 119.2 . . ?
N1 C15 C10 120.93(17) . . ?
N1 C15 C14 119.17(16) . . ?
C10 C15 C14 119.89(17) . . ?
C21 C16 C17 118.37(19) . . ?
C21 C16 N2 123.23(19) . . ?
C17 C16 N2 118.40(18) . . ?
C18 C17 C16 121.8(2) . . ?
C18 C17 H17 119.1 . . ?
C16 C17 H17 119.1 . . ?
C17 C18 C19 118.4(2) . . ?
C17 C18 C25 120.1(3) . . ?
C19 C18 C25 121.5(2) . . ?
C20 C19 C18 120.8(2) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C19 C20 C21 119.7(2) . . ?
C19 C20 C26 120.3(2) . . ?
C21 C20 C26 120.0(2) . . ?
C20 C21 C16 120.9(2) . . ?
C20 C21 H21 119.5 . . ?
C16 C21 H21 119.5 . . ?
C3 C22 H22A 109.5 . . ?
C3 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C3 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C11 C23 H23A 109.5 . . ?
C11 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C11 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C13 C24 H24A 109.5 . . ?
C13 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C13 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C18 C25 H25A 109.5 . . ?
C18 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C18 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C20 C26 H26A 109.5 . . ?
C20 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C20 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.861
_diffrn_reflns_theta_full        67.05
_diffrn_measured_fraction_theta_full 0.860
_refine_diff_density_max         0.102
_refine_diff_density_min         -0.131
_refine_diff_density_rms         0.027