TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl alcohols with arenes into CF3-indanes
Zerov, Aleksey V.; Bulova, Anastasia A.; Khoroshilova, Olesya V.; Vasilyev, Aleksander V.; Organic Chemistry Frontiers 6 (2019) 3264–; doi:10.1039/C9QO00822E

data_1555071
_publ_section_title
;
 TfOH-promoted transformation of TMS-ethers of diarylsubstituted CF3-allyl
 alcohols with arenes into CF3-indanes
;
_journal_issue                   18
_journal_name_full               'Organic Chemistry Frontiers'
_journal_page_first              3264
_journal_paper_doi               10.1039/C9QO00822E
_journal_volume                  6
_journal_year                    2019
_chemical_formula_moiety         'C24 H21 F3'
_chemical_formula_sum            'C24 H21 F3'
_chemical_formula_weight         366.41
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2018-10-09
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2018-10-24 deposited with the CCDC.	2019-08-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.883(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.6641(3)
_cell_length_b                   9.1396(2)
_cell_length_c                   17.3076(4)
_cell_measurement_reflns_used    16756
_cell_measurement_temperature    100(3)
_cell_measurement_theta_max      71.8120
_cell_measurement_theta_min      4.3250
_cell_volume                     1835.36(8)
_computing_cell_refinement       'CrysAlisPro 1.171.39.35a (Rigaku OD, 2017)'
_computing_data_collection       'CrysAlisPro 1.171.39.35a (Rigaku OD, 2017)'
_computing_data_reduction        'CrysAlisPro 1.171.39.35a (Rigaku OD, 2017)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(3)
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
  1  \w    -62.00 -36.00   0.50    1.00    --  -41.35  74.00-166.00   52
  2  \w    -92.00 -22.00   0.50    1.00    --  -41.35 -74.00  64.00  140
  3  \w    -13.00  14.00   0.50    1.00    --  -41.35  74.00-166.00   54
  4  \w     23.00  48.00   0.50    1.00    --   41.35 -74.00  64.00   50
  5  \w     37.00 123.00   0.50    4.00    --  101.00 -74.00  64.00  172
  6  \w     94.00 153.00   0.50    4.00    --  101.00  74.00-166.00  118
  7  \w    -57.00 -30.00   0.50    1.00    --  -41.35  11.00  60.00   54
  8  \w      4.00  30.00   0.50    1.00    --  -41.35  11.00  60.00   52
  9  \w   -100.00 -75.00   0.50    1.00    --  -41.35 -43.00 -30.00   50
 10  \w    -68.00 -29.00   0.50    1.00    --  -41.35 -43.00 -30.00   78
 11  \w    -96.00 -70.00   0.50    1.00    --  -41.35 -43.00  30.00   52
 12  \w     36.00  61.00   0.50    1.00    --   41.35  32.00 150.00   50
 13  \w     19.00  45.00   0.50    1.00    --   41.35  74.00-166.00   52
 14  \w     17.00  46.00   0.50    1.00    --   41.35  77.00  90.00   58
 15  \w    -22.00  10.00   0.50    1.00    --   41.35 -65.00 120.00   64
 16  \w     14.00  54.00   0.50    1.00    --   41.35 -65.00 120.00   80
 17  \w     73.00 104.00   0.50    1.00    --   41.35  65.00 -90.00   62
 18  \w     82.00 107.00   0.50    1.00    --   41.35  32.00 150.00   50
 19  \w     22.00  70.00   0.50    1.00    --   41.35  65.00 -90.00   96
 20  \w     72.00  98.00   0.50    1.00    --   41.35  74.00-166.00   52
 21  \w     75.00 100.00   0.50    1.00    --   41.35  77.00  90.00   50
 22  \w     86.00 112.00   0.50    4.00    --  101.00 -50.00  90.00   52
 23  \w     45.00  81.00   0.50    4.00    --  101.00 -50.00  90.00   72
 24  \w     44.00 107.00   0.50    4.00    --  101.00 -33.00  30.00  126
 25  \w     95.00 148.00   0.50    4.00    --  101.00  33.00  90.00  106
 26  \w     39.00 118.00   0.50    4.00    --  101.00 -68.00-120.00  158
 27  \w    114.00 147.00   0.50    4.00    --  101.00  33.00 120.00   66
 28  \w     77.00 104.00   0.50    4.00    --  101.00 -42.00-150.00   54
 29  \w     41.00  67.00   0.50    4.00    --  101.00 -42.00-150.00   52
 30  \w     92.00 134.00   0.50    4.00    --  101.00  33.00-180.00   84
 31  \w     41.00 101.00   0.50    4.00    --  101.00 -50.00 -60.00  120
 32  \w    111.00 154.00   0.50    4.00    --  101.00  93.00 150.00   86
 33  \w     84.00 130.00   0.50    4.00    --  101.00  68.00 120.00   92
 34  \w    127.00 152.00   0.50    4.00    --  101.00  17.00 -30.00   50
 35  \w     97.00 122.00   0.50    4.00    --  101.00  17.00 -30.00   50
 36  \w     58.00  84.00   0.50    4.00    --  101.00 -87.00 150.00   52
 37  \w    119.00 145.00   0.50    4.00    --  101.00  33.00-120.00   52
 38  \w    132.00 157.00   0.50    4.00    --  101.00  77.00-150.00   50
 39  \w    104.00 129.00   0.50    4.00    --  101.00 -87.00 150.00   50
 40  \w     77.00 116.00   0.50    4.00    --  101.00  77.00-150.00   78
 41  \w     81.00 107.00   0.50    4.00    --  101.00  93.00 150.00   52
 42  \w     48.00  75.00   0.50    1.00    --   41.35  77.00-180.00   54
 43  \w    -18.00   8.00   0.50    1.00    --  -41.35 104.00 120.00   52
 44  \w    -61.00 -26.00   0.50    1.00    --  -41.35 104.00 120.00   70
 45  \w    -59.00 -33.00   0.50    1.00    --  -41.35 -32.00-120.00   52
 46  \w    -19.00  12.00   0.50    1.00    --   41.35 -54.00-180.00   62
 47  \w     21.00  55.00   0.50    1.00    --   41.35 -54.00-180.00   68
 48  \w     70.00  96.00   0.50    1.00    --   41.35  54.00 -30.00   52
 49  \w    -23.00   3.00   0.50    1.00    --   41.35 -32.00-120.00   52
 50  \w     32.00  66.00   0.50    1.00    --   41.35  54.00 -30.00   68
 51  \w     77.00 104.00   0.50    1.00    --   41.35  43.00 120.00   54
 52  \w     -1.00  50.00   0.50    1.00    --   41.35 -32.00-150.00  102
 53  \w     48.00  74.00   0.50    4.00    --  101.00 -42.00 120.00   52
 54  \w     35.00  61.00   0.50    4.00    --  101.00 -25.00  60.00   52
 55  \w     28.00  54.00   0.50    4.00    --  101.00  -8.00-180.00   52
 56  \w     86.00 126.00   0.50    4.00    --  101.00  -8.00-180.00   80
 57  \w     89.00 114.00   0.50    4.00    --  101.00  17.00 150.00   50
 58  \w    118.00 151.00   0.50    4.00    --  101.00  68.00-120.00   66
 59  \w     39.00  94.00   0.50    4.00    --  101.00-111.00  90.00  110
 60  \w    125.00 151.00   0.50    4.00    --  101.00  50.00-180.00   52
 61  \w    131.00 157.00   0.50    4.00    --  101.00  68.00 -90.00   52
 62  \w     82.00 108.00   0.50    4.00    --  101.00  68.00-120.00   52
 63  \w     85.00 119.00   0.50    4.00    --  101.00  50.00-180.00   68
 64  \w     81.00 109.00   0.50    4.00    --  101.00-111.00 150.00   56
 65  \w     80.00 113.00   0.50    4.00    --  101.00  68.00 -90.00   66
 66  \w    132.00 157.00   0.50    4.00    --  101.00  17.00 150.00   50
 67  \w     53.00  79.00   0.50    4.00    --  101.00-111.00 150.00   52
 68  \w     71.00 110.00   0.50    4.00    --  101.00 -25.00  60.00   78
 69  \w     76.00 102.00   0.50    4.00    --  101.00  77.00 -90.00   52
 70  \w     88.00 117.00   0.50    4.00    --  101.00  50.00 -30.00   58
 71  \w     74.00 114.00   0.50    4.00    --  101.00 -68.00   0.00   80
 72  \w     80.00 128.00   0.50    4.00    --  101.00  68.00 -30.00   96
 73  \w     76.00 102.00   0.50    4.00    --  101.00  77.00 -60.00   52
 74  \w     81.00 107.00   0.50    4.00    --  101.00 -42.00 120.00   52
 75  \w    132.00 157.00   0.50    4.00    --  101.00  50.00 -30.00   50
 76  \w     84.00 133.00   0.50    4.00    --  101.00  59.00 -60.00   98
 77  \w     65.00 104.00   0.50    4.00    --  101.00 -25.00 -30.00   78
 78  \w     94.00 120.00   0.50    4.00    --  101.00  42.00 -60.00   52
 79  \w    120.00 146.00   0.50    4.00    --  101.00  50.00 -90.00   52
 80  \w     80.00 106.00   0.50    4.00    --  101.00  68.00 -60.00   52
 81  \w    125.00 150.00   0.50    4.00    --  101.00  68.00 -60.00   50
 82  \w     87.00 112.00   0.50    4.00    --  101.00  50.00 -90.00   50
 83  \w    -67.00 -41.00   0.50    1.00    --  -41.35  88.00  77.00   52
 84  \w    -87.00 -45.00   0.50    1.00    --  -41.35 138.00 -90.00   84
 85  \w    -38.00 -11.00   0.50    1.00    --  -41.35 138.00 -90.00   54
 86  \w     48.00  74.00   0.50    1.00    --   41.35-138.00  90.00   52
 87  \w     50.00  94.00   0.50    1.00    --   41.35-138.00   0.00   88
 88  \w     69.00  95.00   0.50    1.00    --   41.35  32.00-120.00   52
 89  \w     40.00  87.00   0.50    4.00    --  101.00-133.00  90.00   94
 90  \w     85.00 115.00   0.50    4.00    --  101.00-111.00 120.00   60
 91  \w     37.00  79.00   0.50    4.00    --  101.00-111.00  30.00   84
 92  \w     81.00 114.00   0.50    4.00    --  101.00-111.00 -30.00   66
 93  \w     71.00 124.00   0.50    4.00    --  101.00-133.00-120.00  106
 94  \w     40.00  65.00   0.50    4.00    --  101.00-133.00-120.00   50
 95  \w     98.00 123.00   0.50    4.00    --  101.00 -68.00-180.00   50
 96  \w    123.00 149.00   0.50    4.00    --  101.00  42.00   0.00   52
 97  \w     93.00 119.00   0.50    4.00    --  101.00-133.00  90.00   52
 98  \w     57.00  92.00   0.50    4.00    --  101.00-111.00-120.00   70
 99  \w     58.00  84.00   0.50    4.00    --  101.00 178.00 120.00   52
100  \w    118.00 143.00   0.50    4.00    --  101.00 178.00 120.00   50
101  \w     80.00 113.00   0.50    4.00    --  101.00-111.00 -90.00   66
102  \w     40.00  74.00   0.50    4.00    --  101.00-111.00 -90.00   68
103  \w     14.00  59.00   0.50    1.00    --   41.35 -88.00 -39.00   90
104  \w    -42.00 -17.00   0.50    1.00    --    4.00 122.00 177.40   50
105  \w    -37.00  -8.00   0.50    1.00    --    8.00 127.00  -3.35   58
106  \w    -11.00  14.00   0.50    1.00    --   24.00 102.00  27.49   50
107  \w    -43.00 -18.00   0.50    1.00    --   24.00 153.00 168.33   50
108  \w     -4.00  21.00   0.50    1.00    --   28.00  97.00 128.69   50
109  \w     -3.00  22.00   0.50    1.00    --   28.00  95.00-153.78   50
110  \w      3.00  28.00   0.50    1.00    --   32.00  89.00 -35.21   50
111  \w      3.00  28.00   0.50    1.00    --   32.00  89.00  41.70   50
112  \w      3.00  28.00   0.50    1.00    --   32.00  89.00 166.18   50
113  \w      2.00  27.00   0.50    1.00    --   32.00  91.00 102.88   50
114  \w      4.00  29.00   0.50    1.00    --   32.00  88.00 -93.05   50
115  \w      9.00  34.00   0.50    1.00    --   36.00  85.00 142.69   50
116  \w     14.00  39.00   0.50    1.00    --   40.00  82.00  -4.43   50
117  \w     15.00  40.00   0.50    1.00    --   40.00  80.00  27.24   50
118  \w     16.00  41.00   0.50    1.00    --   41.35  82.00-145.90   50
119  \w     19.00  44.00   0.50    1.00    --   44.00  80.00 -85.51   50
120  \w     18.00  43.00   0.50    1.00    --   44.00  82.00 179.21   50
121  \w     19.00  44.00   0.50    1.00    --   44.00  81.00 155.08   50
122  \w     19.00  44.00   0.50    1.00    --   44.00  80.00  86.43   50
123  \w     18.00  43.00   0.50    1.00    --   44.00  82.00 -57.57   50
124  \w     19.00  44.00   0.50    1.00    --   44.00  80.00  45.59   50
125  \w     18.00  43.00   0.50    1.00    --   44.00  82.00 123.27   50
126  \w     18.00  43.00   0.50    1.00    --   44.00  82.00-133.22   50
127  \w     28.00  54.00   0.50    1.00    --   52.00  75.00-166.26   52
128  \w     27.00  53.00   0.50    1.00    --   52.00  77.00 102.47   52
129  \w     28.00  56.00   0.50    1.00    --   52.00  76.00 144.67   56
130  \w     36.00  62.00   0.50    1.00    --   56.00  69.00 -33.53   52
131  \w     33.00  59.00   0.50    1.00    --   56.00  77.00  60.93   52
132  \w     31.00  57.00   0.50    1.00    --   56.00  77.00-133.04   52
133  \w     93.00 119.00   0.50    1.00    --   56.00  77.00-133.04   52
134  \w     33.00  59.00   0.50    1.00    --   56.00  74.00  14.27   52
135  \w     31.00  57.00   0.50    1.00    --   56.00  77.00 -89.42   52
136  \w     36.00  62.00   0.50    1.00    --   60.00  75.00  -2.42   52
137  \w     41.00  67.00   0.50    1.00    --   60.00  65.00  46.45   52
138  \w    100.00 125.00   0.50    1.00    --   60.00  77.00 176.37   50
139  \w     35.00  61.00   0.50    1.00    --   60.00  77.00 176.37   52
140  \w     43.00  69.00   0.50    1.00    --   60.00  65.00  97.75   52
141  \w     44.00  78.00   0.50    1.00    --   64.00  66.00   2.18   68
142  \w     96.00 122.00   0.50    1.00    --   64.00  66.00   2.18   52
143  \w     48.00  74.00   0.50    1.00    --   68.00  68.00-127.90   52
144  \w     47.00  83.00   0.50    1.00    --   68.00  68.00 107.69   72
145  \w     52.00  78.00   0.50    1.00    --   68.00  52.00 -23.15   52
146  \w    100.00 127.00   0.50    1.00    --   68.00  68.00-127.90   54
147  \w     52.00  81.00   0.50    4.00    --   72.00  70.00 -99.38   58
148  \w     49.00  75.00   0.50    4.00    --   72.00  72.00-121.77   52
149  \w     53.00  79.00   0.50    4.00    --   72.00  67.00 -64.51   52
150  \w     53.00  79.00   0.50    4.00    --   76.00  72.00-173.81   52
151  \w     52.00 100.00   0.50    4.00    --   76.00  75.00  53.88   96
152  \w     61.00  93.00   0.50    4.00    --   76.00  50.00  -3.21   64
153  \w    114.00 140.00   0.50    4.00    --   76.00  72.00-173.81   52
154  \w    116.00 142.00   0.50    4.00    --   80.00  50.00 153.53   52
155  \w     61.00  93.00   0.50    4.00    --   80.00  60.00 109.38   64
156  \w     64.00 113.00   0.50    4.00    --   80.00  50.00 153.53   98
157  \w    109.00 146.00   0.50    4.00    --   92.00  76.00-149.20   74
158  \w     67.00 102.00   0.50    4.00    --   92.00  76.00-149.20   70
159  \w     76.00 101.00   0.50    4.00    --  101.00 -42.00-120.00   50
160  \w     38.00  64.00   0.50    4.00    --  101.00 -42.00-120.00   52
161  \w    130.00 156.00   0.50    4.00    --  101.00  77.00  30.00   52
162  \w     76.00 102.00   0.50    4.00    --  101.00  77.00-120.00   52
163  \w     76.00 102.00   0.50    4.00    --  101.00  77.00  30.00   52
164  \w     76.00 108.00   0.50    4.00    --  101.00  77.00-180.00   64
165  \w    118.00 144.00   0.50    4.00    --  101.00  77.00   0.00   52
166  \w     76.00 102.00   0.50    4.00    --  101.00  77.00   0.00   52
167  \w    116.00 142.00   0.50    4.00    --  101.00  77.00 -30.00   52
168  \w     78.00 104.00   0.50    4.00    --  101.00  77.00 -30.00   52
169  \w    130.00 156.00   0.50    4.00    --  101.00  77.00 120.00   52
170  \w    127.00 154.00   0.50    4.00    --  101.00  59.00 150.00   54
171  \w     77.00 103.00   0.50    4.00    --  101.00  77.00 120.00   52
172  \w     76.00 102.00   0.50    4.00    --  101.00  77.00 150.00   52
173  \w     83.00 109.00   0.50    4.00    --  101.00  59.00 150.00   52
174  \w     76.00 112.00   0.50    4.00    --  101.00  77.00  60.00   72
175  \w     76.00 104.00   0.50    4.00    --  101.00  77.00  90.00   56
176  \w     65.00 103.00   0.50    4.00    --  101.00 -25.00 120.00   76
177  \w    131.00 156.00   0.50    4.00    --  101.00  59.00  60.00   50
178  \w     83.00 109.00   0.50    4.00    --  101.00  59.00  60.00   52
179  \w     81.00 114.00   0.50    4.00    --  101.00  68.00-180.00   66
180  \w     37.00  83.00   0.50    4.00    --  101.00 -33.00-120.00   92
181  \w     85.00 143.00   0.50    4.00    --  101.00  59.00   0.00  116
182  \w     83.00 144.00   0.50    4.00    --  101.00  59.00  30.00  122
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'SuperNova, Single source at offset/far, HyPix3000'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0027487000
_diffrn_orient_matrix_UB_12      -0.0873299000
_diffrn_orient_matrix_UB_13      -0.0759688000
_diffrn_orient_matrix_UB_21      0.0902015000
_diffrn_orient_matrix_UB_22      0.1069961000
_diffrn_orient_matrix_UB_23      -0.0264711000
_diffrn_orient_matrix_UB_31      0.0974232000
_diffrn_orient_matrix_UB_32      -0.0966364000
_diffrn_orient_matrix_UB_33      0.0391426000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0461
_diffrn_reflns_av_unetI/netI     0.0201
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            39863
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         71.844
_diffrn_reflns_theta_min         4.371
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    0.799
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88371
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.35a (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.326
_exptl_crystal_description       prism
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.303
_refine_diff_density_min         -0.324
_refine_diff_density_rms         0.044
_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     246
_refine_ls_number_reflns         3601
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0429
_refine_ls_R_factor_gt           0.0377
_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/[\s^2^(Fo^2^)+(0.0578P)^2^+0.5919P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1012
_refine_ls_wR_factor_ref         0.1051
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3158
_reflns_number_total             3601
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9qo00822e2.cif
_cod_data_source_block           7072-9926_b-10a
_cod_database_code               1555071
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_max   0.870
_shelx_estimated_absorpt_t_min   0.819
_reflns_odcompleteness_completeness 99.97
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     70.93
_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:
 C1(H1)
2.b Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B)
2.c Aromatic/amide H refined with riding coordinates:
 C6(H6), C8(H8), C11(H11), C21(H21), C12(H12), C13(H13), C14(H14), C15(H15),
 C20(H20), C17(H17), C18(H18), C19(H19)
2.d Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C24(H24A,H24B,H24C)
;
_shelx_res_checksum              87285
_shelx_hkl_checksum              61253
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.923
_oxdiff_exptl_absorpt_empirical_full_min 0.738