# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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. 
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#######################################################################

data_ram717a
_database_code_depnum_ccdc_archive 'CCDC 1862436'
loop_
_audit_author_name
_audit_author_address
'Richard Staples'
;Michigan State University
United States of America
;
_audit_update_record             
;
2018-08-20 deposited with the CCDC.	2019-08-08 downloaded from the CCDC.
;
_audit_creation_date             2018-08-20
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C28 H24 N2 O'
_chemical_formula_sum            'C28 H24 N2 O'
_chemical_formula_weight         404.49
_chemical_absolute_configuration unk
_chemical_melting_point          ?
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'
N N 0.0061 0.0033 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   13.3870(8)
_cell_length_b                   12.8591(8)
_cell_length_c                   12.5553(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2161.3(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7459
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.22
_cell_measurement_theta_min      2.20
_shelx_estimated_absorpt_T_max   0.984
_shelx_estimated_absorpt_T_min   0.975
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6743
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.0583 before and 0.0549 after correction. The Ratio of minimum to maximum transmission is 0.9049. The λ/2 correction factor is 0.00150.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.243
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             856
_exptl_crystal_recrystallization_method 'used as received'
_exptl_crystal_size_max          0.335
_exptl_crystal_size_mid          0.321
_exptl_crystal_size_min          0.22
_exptl_special_details           
;
Data was collected using a BRUKER CCD (charge coupled device) based
diffractometer equipped with an Oxford low-temperature apparatus operating at
173 K.  A suitable crystal was chosen and mounted on a nylon loop using 
Paratone oil.  Data  were measured using omega scans of 0.5° per frame 
for 30 s. The total number of images were based on 
results from the program COSMO where redundancy was expected to be 4 and 
completeness to 0.83Å to 100%. Cell parameters were
retrieved using APEX II software and refined using SAINT on all observed
reflections.Data reduction was performed using the SAINT software which 
corrects for Lp. Scaling and absorption corrections were applied using SADABS6 
multi-scan technique, supplied by George Sheldrick.  The structure was solved 
by the direct method using the SHELXT program and refined by least squares 
method on F2, SHELXL, incorporated in OLEX2. 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0381
_diffrn_reflns_av_unetI/netI     0.0325
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16762
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.371
_diffrn_reflns_theta_min         2.196
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.36
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.904
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                3442
_reflns_number_total             3954
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       'COSMO (BRUKER, V1.61, 2009)'
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
'SHELXL (Sheldrick, Acta Cryst. A64 2008, 112-122)'
_computing_structure_solution    
'SHELXT (Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8)'
_refine_diff_density_max         0.119
_refine_diff_density_min         -0.166
_refine_diff_density_rms         0.034
_refine_ls_abs_structure_details 
;
 Flack x determined using 1436 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.3(9)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     281
_refine_ls_number_reflns         3954
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0478
_refine_ls_R_factor_gt           0.0400
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0557P)²+0.1770P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0967
_refine_ls_wR_factor_ref         0.1035
_refine_special_details          
'The structure was refined by Least Squares using version 2014/6 of XL (Sheldrick, 2008) incorporated in Olex2 (Dolomanov et al., 2009). All non-hydrogen atoms were refined anisotropically. Hydrogen atom positions were calculated geometrically and refined using the riding model.'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C2(H2)
2.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C7(H7), C11(H11), C12(H12), C13(H13), C14(H14), C15(H15),
 C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C23(H23), C24(H24), C25(H25),
  C26(H26), C27(H27)
2.d Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.60945(14) 0.59808(17) 0.53988(17) 0.0432(5) Uani 1 1 d . . . . .
N1 N 0.32885(17) 0.20594(18) 0.50866(19) 0.0359(5) Uani 1 1 d . . . . .
N2 N 0.34658(17) 0.36826(18) 0.42284(18) 0.0345(5) Uani 1 1 d . . . . .
C1 C 0.3098(2) 0.2747(2) 0.4290(2) 0.0328(6) Uani 1 1 d . . . . .
C2 C 0.3696(2) 0.2431(2) 0.6110(2) 0.0350(6) Uani 1 1 d . . . . .
H2 H 0.413441 0.186933 0.640206 0.042 Uiso 1 1 calc R . . . .
C3 C 0.4344(2) 0.3366(2) 0.5905(2) 0.0327(6) Uani 1 1 d . . . . .
C4 C 0.5087(2) 0.3667(2) 0.6610(2) 0.0364(7) Uani 1 1 d . . . . .
H4 H 0.520613 0.325977 0.722865 0.044 Uiso 1 1 calc R . . . .
C5 C 0.5656(2) 0.4541(2) 0.6434(2) 0.0365(7) Uani 1 1 d . . . . .
H5 H 0.615554 0.474053 0.693037 0.044 Uiso 1 1 calc R . . . .
C6 C 0.5491(2) 0.5128(2) 0.5522(2) 0.0340(6) Uani 1 1 d . . . . .
C7 C 0.4757(2) 0.4844(2) 0.4804(2) 0.0323(6) Uani 1 1 d . . . . .
H7 H 0.464474 0.525054 0.418344 0.039 Uiso 1 1 calc R . . . .
C8 C 0.41796(19) 0.3958(2) 0.4992(2) 0.0297(6) Uani 1 1 d . . . . .
C9 C 0.3223(2) 0.0929(2) 0.4977(3) 0.0396(7) Uani 1 1 d . . . . .
H9A H 0.291585 0.075658 0.428213 0.048 Uiso 1 1 calc R . . . .
H9B H 0.278693 0.064816 0.554517 0.048 Uiso 1 1 calc R . . . .
C10 C 0.4238(2) 0.0421(2) 0.5049(2) 0.0400(7) Uani 1 1 d . . . . .
C11 C 0.5000(3) 0.0724(2) 0.4363(3) 0.0521(8) Uani 1 1 d . . . . .
H11 H 0.487738 0.124759 0.384558 0.063 Uiso 1 1 calc R . . . .
C12 C 0.5937(3) 0.0269(3) 0.4428(4) 0.0657(11) Uani 1 1 d . . . . .
H12 H 0.645441 0.047996 0.395724 0.079 Uiso 1 1 calc R . . . .
C13 C 0.6113(3) -0.0490(3) 0.5177(4) 0.0734(13) Uani 1 1 d . . . . .
H13 H 0.675412 -0.080460 0.522245 0.088 Uiso 1 1 calc R . . . .
C14 C 0.5372(3) -0.0793(3) 0.5855(4) 0.0691(11) Uani 1 1 d . . . . .
H14 H 0.549677 -0.132153 0.636716 0.083 Uiso 1 1 calc R . . . .
C15 C 0.4438(3) -0.0334(3) 0.5800(3) 0.0532(9) Uani 1 1 d . . . . .
H15 H 0.392958 -0.054088 0.628428 0.064 Uiso 1 1 calc R . . . .
C16 C 0.2419(2) 0.2427(2) 0.3412(3) 0.0343(6) Uani 1 1 d . . . . .
C17 C 0.2682(2) 0.2680(2) 0.2366(2) 0.0395(7) Uani 1 1 d . . . . .
H17 H 0.329762 0.301986 0.222410 0.047 Uiso 1 1 calc R . . . .
C18 C 0.2043(3) 0.2435(3) 0.1542(3) 0.0474(8) Uani 1 1 d . . . . .
H18 H 0.222475 0.260715 0.083221 0.057 Uiso 1 1 calc R . . . .
C19 C 0.1151(3) 0.1947(3) 0.1733(3) 0.0516(9) Uani 1 1 d . . . . .
H19 H 0.072177 0.177632 0.115649 0.062 Uiso 1 1 calc R . . . .
C20 C 0.0878(2) 0.1705(2) 0.2761(3) 0.0480(8) Uani 1 1 d . . . . .
H20 H 0.025576 0.137532 0.289479 0.058 Uiso 1 1 calc R . . . .
C21 C 0.1510(2) 0.1942(2) 0.3600(3) 0.0417(7) Uani 1 1 d . . . . .
H21 H 0.131948 0.177104 0.430744 0.050 Uiso 1 1 calc R . . . .
C22 C 0.2867(2) 0.2631(2) 0.6925(2) 0.0382(7) Uani 1 1 d . . . . .
C23 C 0.2328(2) 0.3552(3) 0.6908(3) 0.0463(8) Uani 1 1 d . . . . .
H23 H 0.246063 0.405599 0.637306 0.056 Uiso 1 1 calc R . . . .
C24 C 0.1600(3) 0.3742(3) 0.7663(3) 0.0567(9) Uani 1 1 d . . . . .
H24 H 0.123355 0.437437 0.764109 0.068 Uiso 1 1 calc R . . . .
C25 C 0.1401(3) 0.3026(3) 0.8445(3) 0.0568(9) Uani 1 1 d . . . . .
H25 H 0.091275 0.316941 0.897445 0.068 Uiso 1 1 calc R . . . .
C26 C 0.1913(3) 0.2098(3) 0.8456(3) 0.0543(9) Uani 1 1 d . . . . .
H26 H 0.176447 0.158980 0.898172 0.065 Uiso 1 1 calc R . . . .
C27 C 0.2647(2) 0.1902(2) 0.7700(3) 0.0437(8) Uani 1 1 d . . . . .
H27 H 0.300082 0.126228 0.771510 0.052 Uiso 1 1 calc R . . . .
C28 C 0.6006(2) 0.6537(3) 0.4429(3) 0.0516(8) Uani 1 1 d . . . . .
H28A H 0.615187 0.607130 0.383107 0.077 Uiso 1 1 calc GR . . . .
H28B H 0.648114 0.711705 0.442627 0.077 Uiso 1 1 calc GR . . . .
H28C H 0.532501 0.680734 0.435939 0.077 Uiso 1 1 calc GR . . . .


_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 C6 1.371(3) . ?
O1 C28 1.417(4) . ?
N1 C1 1.360(4) . ?
N1 C2 1.476(4) . ?
N1 C9 1.463(4) . ?
N2 C1 1.302(3) . ?
N2 C8 1.400(3) . ?
C1 C16 1.486(4) . ?
C2 H2 1.0000 . ?
C2 C3 1.505(4) . ?
C2 C22 1.531(4) . ?
C3 C4 1.386(4) . ?
C3 C8 1.393(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.375(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.390(4) . ?
C6 C7 1.383(4) . ?
C7 H7 0.9500 . ?
C7 C8 1.396(4) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C9 C10 1.509(4) . ?
C10 C11 1.391(5) . ?
C10 C15 1.380(5) . ?
C11 H11 0.9500 . ?
C11 C12 1.387(5) . ?
C12 H12 0.9500 . ?
C12 C13 1.376(7) . ?
C13 H13 0.9500 . ?
C13 C14 1.365(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.385(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.398(4) . ?
C16 C21 1.388(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.378(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.370(5) . ?
C19 H19 0.9500 . ?
C19 C20 1.378(5) . ?
C20 H20 0.9500 . ?
C20 C21 1.384(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.386(4) . ?
C22 C27 1.383(4) . ?
C23 H23 0.9500 . ?
C23 C24 1.382(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.372(5) . ?
C25 H25 0.9500 . ?
C25 C26 1.377(5) . ?
C26 H26 0.9500 . ?
C26 C27 1.389(5) . ?
C27 H27 0.9500 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 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
C6 O1 C28 116.8(2) . . ?
C1 N1 C2 120.0(2) . . ?
C1 N1 C9 124.5(2) . . ?
C9 N1 C2 115.2(2) . . ?
C1 N2 C8 116.9(2) . . ?
N1 C1 C16 118.7(2) . . ?
N2 C1 N1 125.0(3) . . ?
N2 C1 C16 116.3(2) . . ?
N1 C2 H2 107.6 . . ?
N1 C2 C3 108.8(2) . . ?
N1 C2 C22 111.6(2) . . ?
C3 C2 H2 107.6 . . ?
C3 C2 C22 113.5(2) . . ?
C22 C2 H2 107.6 . . ?
C4 C3 C2 121.8(3) . . ?
C4 C3 C8 119.1(3) . . ?
C8 C3 C2 119.1(2) . . ?
C3 C4 H4 119.3 . . ?
C5 C4 C3 121.5(3) . . ?
C5 C4 H4 119.3 . . ?
C4 C5 H5 120.4 . . ?
C4 C5 C6 119.3(3) . . ?
C6 C5 H5 120.4 . . ?
O1 C6 C5 115.7(2) . . ?
O1 C6 C7 123.9(3) . . ?
C7 C6 C5 120.4(3) . . ?
C6 C7 H7 120.1 . . ?
C6 C7 C8 119.9(2) . . ?
C8 C7 H7 120.1 . . ?
C3 C8 N2 122.2(2) . . ?
C3 C8 C7 119.8(2) . . ?
C7 C8 N2 117.9(2) . . ?
N1 C9 H9A 109.3 . . ?
N1 C9 H9B 109.3 . . ?
N1 C9 C10 111.7(2) . . ?
H9A C9 H9B 107.9 . . ?
C10 C9 H9A 109.3 . . ?
C10 C9 H9B 109.3 . . ?
C11 C10 C9 120.1(3) . . ?
C15 C10 C9 121.3(3) . . ?
C15 C10 C11 118.5(3) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 C10 120.6(4) . . ?
C12 C11 H11 119.7 . . ?
C11 C12 H12 120.2 . . ?
C13 C12 C11 119.6(4) . . ?
C13 C12 H12 120.2 . . ?
C12 C13 H13 119.9 . . ?
C14 C13 C12 120.3(4) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 119.9 . . ?
C13 C14 C15 120.3(4) . . ?
C15 C14 H14 119.9 . . ?
C10 C15 C14 120.6(4) . . ?
C10 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C17 C16 C1 118.5(3) . . ?
C21 C16 C1 122.4(3) . . ?
C21 C16 C17 119.0(3) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 C16 119.7(3) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 H18 119.5 . . ?
C19 C18 C17 120.9(3) . . ?
C19 C18 H18 119.5 . . ?
C18 C19 H19 120.1 . . ?
C18 C19 C20 119.9(3) . . ?
C20 C19 H19 120.1 . . ?
C19 C20 H20 120.0 . . ?
C19 C20 C21 120.1(3) . . ?
C21 C20 H20 120.0 . . ?
C16 C21 H21 119.8 . . ?
C20 C21 C16 120.4(3) . . ?
C20 C21 H21 119.8 . . ?
C23 C22 C2 120.7(3) . . ?
C27 C22 C2 120.7(3) . . ?
C27 C22 C23 118.6(3) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 C22 120.5(3) . . ?
C24 C23 H23 119.8 . . ?
C23 C24 H24 119.7 . . ?
C25 C24 C23 120.6(4) . . ?
C25 C24 H24 119.7 . . ?
C24 C25 H25 120.3 . . ?
C24 C25 C26 119.5(3) . . ?
C26 C25 H25 120.3 . . ?
C25 C26 H26 119.9 . . ?
C25 C26 C27 120.2(3) . . ?
C27 C26 H26 119.9 . . ?
C22 C27 C26 120.6(3) . . ?
C22 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
O1 C28 H28A 109.5 . . ?
O1 C28 H28B 109.5 . . ?
O1 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?

_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method 
'The crystal was mounted on a nylon loop with paratone oil'
_olex2_submission_original_sample_id CM-2-131
_olex2_submission_special_instructions 'No special instructions were received'
