# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_exp_631
_database_code_depnum_ccdc_archive 'CCDC 1059503'
_audit_update_record             
;
2015-04-14 deposited with the CCDC.
2015-05-18 downloaded from the CCDC.
;
_audit_creation_date             
;
'Mon Feb 13 13:24:32 2012'
;
_audit_creation_method           
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_chemical_name_systematic        
'R)-(9H-fluoren-9-yl)methyl 4-((R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-isopropyl-3-oxo-3,4-dihydropyrazine-1-(2H)-carboxylate'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H28 N2 O6'
_chemical_formula_sum            'C26 H28 N2 O6'
_chemical_formula_weight         464.50

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           Orthorhombic
_symmetry_space_group_name_H-M   P212121

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

_cell_length_a                   6.5900(10)
_cell_length_b                   14.5790(10)
_cell_length_c                   25.4840(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2448.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    2667
_cell_measurement_theta_min      4.6051
_cell_measurement_theta_max      72.0317

_exptl_crystal_description       needle
_exptl_crystal_colour            white
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             984
_exptl_absorpt_coefficient_mu    0.739
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.9531
_exptl_absorpt_correction_T_max  0.9781
_exptl_absorpt_process_details   
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Onyx'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 8.1241
_diffrn_standards_number         3
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        50
_diffrn_reflns_number            7937
_diffrn_reflns_av_R_equivalents  0.0491
_diffrn_reflns_av_sigmaI/netI    0.0505
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         4.61
_diffrn_reflns_theta_max         72.17
_reflns_number_total             4172
_reflns_number_gt                2662
_reflns_threshold_expression     >2sigma(I)
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -64.00   28.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -46.4074   87.0000 -141.0000 92

#__ type_ start__ end____ width___ exp.time_
  2 omega   24.00   50.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000  -87.0000  -79.0000 26

#__ type_ start__ end____ width___ exp.time_
  3 omega -110.00  -76.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -46.4074 -125.0000 -150.0000 34

#__ type_ start__ end____ width___ exp.time_
  4 omega  -68.00  -28.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -90.0000   45.0000 -150.0000 40

#__ type_ start__ end____ width___ exp.time_
  5 omega   64.00  173.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000   15.0000   90.0000 109

#__ type_ start__ end____ width___ exp.time_
  6 omega   38.00   77.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000  -45.0000   60.0000 39

#__ type_ start__ end____ width___ exp.time_
  7 omega   86.00  133.00   1.0000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      100.0000  -87.0000  -79.0000 47

#__ type_ start__ end____ width___ exp.time_
  8 omega -118.00  -42.00   1.0000    3.0000
omega____ theta____ kappa____ phi______ frames
    -      -46.4074  -77.0000  -90.0000 76
;

_computing_data_collection       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_cell_refinement       
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_data_reduction        
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
;
_computing_structure_solution    'SIR2004 J.Appl.Cryst.38,381-388'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Ciftab

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² 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/[σ²(Fo²)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/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       0.018(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_number_reflns         4172
_refine_ls_number_parameters     308
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1352
_refine_ls_R_factor_gt           0.1080
_refine_ls_wR_factor_ref         0.3385
_refine_ls_wR_factor_gt          0.2858
_refine_ls_goodness_of_fit_ref   1.176
_refine_ls_restrained_S_all      1.176
_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
N1 N 0.4830(9) 0.3218(3) 0.24038(19) 0.0846(13) Uani 1 1 d . . .
N2 N 0.4484(9) 0.2161(3) 0.32832(18) 0.0819(13) Uani 1 1 d . . .
O1 O 0.3975(9) 0.3190(4) 0.15553(19) 0.1106(16) Uani 1 1 d . . .
O2 O 0.3962(11) 0.4572(4) 0.2002(3) 0.129(2) Uani 1 1 d . . .
O3 O 0.3748(9) 0.3432(4) 0.3747(2) 0.1095(17) Uani 1 1 d . . .
O4 O 0.0254(4) 0.1170(2) 0.32554(11) 0.0575(8) Uani 1 1 d . . .
H4 H -0.0967 0.1187 0.3317 0.086 Uiso 1 1 calc R . .
O5 O 0.6874(10) 0.2057(7) 0.4173(2) 0.147(3) Uani 1 1 d . . .
O6 O 0.4271(11) 0.1543(5) 0.46226(18) 0.124(2) Uani 1 1 d . . .
C1 C 0.0850(14) 0.3641(6) 0.1136(3) 0.108(2) Uani 1 1 d . . .
H1 H 0.0496 0.4050 0.1427 0.130 Uiso 1 1 calc R . .
C2 C -0.0119(11) 0.3983(5) 0.0626(3) 0.0940(19) Uani 1 1 d . . .
C3 C 0.0315(16) 0.4770(6) 0.0339(3) 0.115(3) Uani 1 1 d . . .
H3 H 0.1347 0.5164 0.0444 0.138 Uiso 1 1 calc R . .
C4 C -0.0805(19) 0.4957(6) -0.0103(3) 0.122(3) Uani 1 1 d . . .
H4A H -0.0498 0.5472 -0.0303 0.147 Uiso 1 1 calc R . .
C5 C -0.2389(16) 0.4388(7) -0.0256(3) 0.118(3) Uani 1 1 d . . .
H5 H -0.3192 0.4544 -0.0542 0.142 Uiso 1 1 calc R . .
C6 C -0.2766(14) 0.3595(7) 0.0017(3) 0.111(2) Uani 1 1 d . . .
H6 H -0.3803 0.3204 -0.0090 0.133 Uiso 1 1 calc R . .
C7 C -0.1570(11) 0.3376(5) 0.0460(3) 0.0952(19) Uani 1 1 d . . .
C8 C -0.1625(11) 0.2588(5) 0.0808(3) 0.0877(17) Uani 1 1 d . . .
C9 C -0.2800(14) 0.1806(6) 0.0799(4) 0.111(2) Uani 1 1 d . . .
H9 H -0.3779 0.1729 0.0540 0.133 Uiso 1 1 calc R . .
C10 C -0.2527(17) 0.1145(6) 0.1173(4) 0.122(3) Uani 1 1 d . . .
H10 H -0.3306 0.0614 0.1163 0.146 Uiso 1 1 calc R . .
C11 C -0.1117(16) 0.1259(6) 0.1561(4) 0.121(3) Uani 1 1 d . . .
H11 H -0.0955 0.0806 0.1815 0.145 Uiso 1 1 calc R . .
C12 C 0.0077(13) 0.2044(7) 0.1579(4) 0.123(3) Uani 1 1 d . . .
H12 H 0.1052 0.2116 0.1839 0.148 Uiso 1 1 calc R . .
C13 C -0.0213(15) 0.2721(5) 0.1200(3) 0.106(2) Uani 1 1 d . . .
C14 C 0.3126(14) 0.3567(7) 0.1086(3) 0.118(3) Uani 1 1 d . . .
H14A H 0.3464 0.3177 0.0790 0.142 Uiso 1 1 calc R . .
H14B H 0.3699 0.4170 0.1022 0.142 Uiso 1 1 calc R . .
C15 C 0.4249(12) 0.3728(5) 0.1982(3) 0.0952(19) Uani 1 1 d . . .
C16 C 0.5138(12) 0.2279(4) 0.2375(2) 0.0884(17) Uani 1 1 d . . .
H16 H 0.5391 0.2003 0.2053 0.106 Uiso 1 1 calc R . .
C17 C 0.5070(10) 0.1781(4) 0.2803(2) 0.0818(15) Uani 1 1 d . . .
H17 H 0.5419 0.1164 0.2787 0.098 Uiso 1 1 calc R . .
C18 C 0.4427(11) 0.3084(4) 0.3352(2) 0.0858(16) Uani 1 1 d . . .
C19 C 0.5347(10) 0.3645(4) 0.2906(3) 0.0832(15) Uani 1 1 d . . .
H19 H 0.4756 0.4262 0.2915 0.100 Uiso 1 1 calc R . .
C20 C 0.7653(12) 0.3725(6) 0.3002(3) 0.097(2) Uani 1 1 d . . .
H20 H 0.8188 0.3099 0.3014 0.117 Uiso 1 1 calc R . .
C21 C 0.8150(16) 0.4152(8) 0.3510(3) 0.137(4) Uani 1 1 d . . .
H21A H 0.7484 0.3822 0.3787 0.206 Uiso 1 1 calc R . .
H21B H 0.7698 0.4778 0.3511 0.206 Uiso 1 1 calc R . .
H21C H 0.9591 0.4133 0.3564 0.206 Uiso 1 1 calc R . .
C22 C 0.8701(16) 0.4203(9) 0.2555(3) 0.148(4) Uani 1 1 d . . .
H22A H 0.8359 0.3904 0.2231 0.222 Uiso 1 1 calc R . .
H22B H 1.0143 0.4178 0.2606 0.222 Uiso 1 1 calc R . .
H22C H 0.8271 0.4832 0.2541 0.222 Uiso 1 1 calc R . .
C23 C 0.3881(13) 0.1573(5) 0.3709(3) 0.096(2) Uani 1 1 d . . .
H23 H 0.4213 0.0947 0.3598 0.116 Uiso 1 1 calc R . .
C24 C 0.1607(13) 0.1581(7) 0.3806(3) 0.113(3) Uani 1 1 d . . .
H24A H 0.1173 0.2202 0.3885 0.136 Uiso 1 1 calc R . .
H24B H 0.1299 0.1201 0.4108 0.136 Uiso 1 1 calc R . .
C25 C 0.5188(13) 0.1762(6) 0.4196(3) 0.0970(19) Uani 1 1 d . . .
C26 C 0.5412(17) 0.1702(9) 0.5115(3) 0.144(4) Uani 1 1 d . . .
H26A H 0.4611 0.1502 0.5408 0.216 Uiso 1 1 calc R . .
H26B H 0.5704 0.2344 0.5151 0.216 Uiso 1 1 calc R . .
H26C H 0.6659 0.1362 0.5106 0.216 Uiso 1 1 calc R . .


_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 1.362(8) . ?
N1 C16 1.386(8) . ?
N1 C19 1.464(8) . ?
N2 C18 1.356(8) . ?
N2 C17 1.397(7) . ?
N2 C23 1.440(8) . ?
O1 C15 1.353(9) . ?
O1 C14 1.430(9) . ?
O2 C15 1.246(9) . ?
O3 C18 1.212(7) . ?
O4 C24 1.768(8) . ?
O4 H4 0.8200 . ?
O5 C25 1.193(10) . ?
O6 C25 1.284(9) . ?
O6 C26 1.481(10) . ?
C1 C14 1.509(13) . ?
C1 C13 1.522(12) . ?
C1 C2 1.531(10) . ?
C1 H1 0.9800 . ?
C2 C7 1.370(10) . ?
C2 C3 1.391(10) . ?
C3 C4 1.373(12) . ?
C3 H3 0.9300 . ?
C4 C5 1.389(14) . ?
C4 H4A 0.9300 . ?
C5 C6 1.370(13) . ?
C5 H5 0.9300 . ?
C6 C7 1.415(10) . ?
C6 H6 0.9300 . ?
C7 C8 1.451(10) . ?
C8 C9 1.378(11) . ?
C8 C13 1.380(10) . ?
C9 C10 1.366(12) . ?
C9 H9 0.9300 . ?
C10 C11 1.367(14) . ?
C10 H10 0.9300 . ?
C11 C12 1.389(13) . ?
C11 H11 0.9300 . ?
C12 C13 1.393(11) . ?
C12 H12 0.9300 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C16 C17 1.312(8) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C19 1.526(9) . ?
C19 C20 1.544(10) . ?
C19 H19 0.9800 . ?
C20 C21 1.472(10) . ?
C20 C22 1.504(10) . ?
C20 H20 0.9800 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 C24 1.519(12) . ?
C23 C25 1.535(11) . ?
C23 H23 0.9800 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
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 C16 122.6(5) . . ?
C15 N1 C19 121.6(5) . . ?
C16 N1 C19 115.6(5) . . ?
C18 N2 C17 121.0(5) . . ?
C18 N2 C23 119.0(5) . . ?
C17 N2 C23 120.0(5) . . ?
C15 O1 C14 120.1(7) . . ?
C24 O4 H4 109.5 . . ?
C25 O6 C26 116.1(7) . . ?
C14 C1 C13 113.8(8) . . ?
C14 C1 C2 111.5(7) . . ?
C13 C1 C2 100.7(6) . . ?
C14 C1 H1 110.2 . . ?
C13 C1 H1 110.2 . . ?
C2 C1 H1 110.2 . . ?
C7 C2 C3 120.9(7) . . ?
C7 C2 C1 110.1(6) . . ?
C3 C2 C1 129.0(7) . . ?
C4 C3 C2 119.0(9) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C3 C4 C5 121.0(9) . . ?
C3 C4 H4A 119.5 . . ?
C5 C4 H4A 119.5 . . ?
C6 C5 C4 119.9(8) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 C7 119.6(8) . . ?
C5 C6 H6 120.2 . . ?
C7 C6 H6 120.2 . . ?
C2 C7 C6 119.3(7) . . ?
C2 C7 C8 109.9(6) . . ?
C6 C7 C8 130.7(7) . . ?
C9 C8 C13 120.4(7) . . ?
C9 C8 C7 131.2(7) . . ?
C13 C8 C7 108.3(6) . . ?
C10 C9 C8 119.9(8) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C9 C10 C11 120.5(8) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 H10 119.7 . . ?
C10 C11 C12 120.6(8) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C11 C12 C13 118.9(8) . . ?
C11 C12 H12 120.6 . . ?
C13 C12 H12 120.6 . . ?
C8 C13 C12 119.7(8) . . ?
C8 C13 C1 110.9(6) . . ?
C12 C13 C1 129.5(7) . . ?
O1 C14 C1 110.2(7) . . ?
O1 C14 H14A 109.6 . . ?
C1 C14 H14A 109.6 . . ?
O1 C14 H14B 109.6 . . ?
C1 C14 H14B 109.6 . . ?
H14A C14 H14B 108.1 . . ?
O2 C15 O1 125.8(6) . . ?
O2 C15 N1 123.3(7) . . ?
O1 C15 N1 110.8(6) . . ?
C17 C16 N1 119.9(6) . . ?
C17 C16 H16 120.1 . . ?
N1 C16 H16 120.1 . . ?
C16 C17 N2 121.2(5) . . ?
C16 C17 H17 119.4 . . ?
N2 C17 H17 119.4 . . ?
O3 C18 N2 122.2(6) . . ?
O3 C18 C19 122.7(6) . . ?
N2 C18 C19 115.1(5) . . ?
N1 C19 C18 109.3(5) . . ?
N1 C19 C20 113.6(6) . . ?
C18 C19 C20 108.3(6) . . ?
N1 C19 H19 108.5 . . ?
C18 C19 H19 108.5 . . ?
C20 C19 H19 108.5 . . ?
C21 C20 C22 111.6(7) . . ?
C21 C20 C19 113.0(7) . . ?
C22 C20 C19 111.5(7) . . ?
C21 C20 H20 106.7 . . ?
C22 C20 H20 106.7 . . ?
C19 C20 H20 106.7 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N2 C23 C24 113.0(7) . . ?
N2 C23 C25 110.3(6) . . ?
C24 C23 C25 114.9(6) . . ?
N2 C23 H23 106.0 . . ?
C24 C23 H23 106.0 . . ?
C25 C23 H23 106.0 . . ?
C23 C24 O4 111.4(6) . . ?
C23 C24 H24A 109.3 . . ?
O4 C24 H24A 109.3 . . ?
C23 C24 H24B 109.3 . . ?
O4 C24 H24B 109.3 . . ?
H24A C24 H24B 108.0 . . ?
O5 C25 O6 124.7(7) . . ?
O5 C25 C23 123.2(7) . . ?
O6 C25 C23 112.0(7) . . ?
O6 C26 H26A 109.5 . . ?
O6 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
O6 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.964
_diffrn_reflns_theta_full        72.17
_diffrn_measured_fraction_theta_full 0.963
_refine_diff_density_max         1.043
_refine_diff_density_min         -0.339
_refine_diff_density_rms         0.106

