Tris(arylmethyl) Derivatives of 1,3,5-Trimethoxy- and 1,3,5-Triethylbenzene
Samah Simaan; Jay S. Siegel; Silvio E. Biali; Journal of Organic Chemistry 68 (2003) 3699–3701; doi:10.1021/jo034016u

data_4022398
_publ_section_title
;
 Tris(arylmethyl) Derivatives of 1,3,5-Trimethoxy- and
 1,3,5-Triethylbenzene
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3699
_journal_page_last               3701
_journal_paper_doi               10.1021/jo034016u
_journal_volume                  68
_journal_year                    2003
_chemical_formula_moiety         'C36 H42 O3'
_chemical_formula_weight         174.24
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
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_symmetry_space_group_name_H-M   'R -3 :H'
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_cell_length_c                   15.1127(7)
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_cell_measurement_temperature    293.2
_cell_measurement_theta_max      13.0
_cell_measurement_theta_min      10.0
_cell_volume                     4506.0(2)
_computing_cell_refinement       'Philips PW1100 Diffractometer Control'
_computing_data_collection       'Philips PW1100 Diffractometer Control'
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_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      293.2
_diffrn_measurement_device       'Philips PW1100'
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_diffrn_radiation_detector       scintillation
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_h_min       0
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_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         2.2
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.072
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.156
_exptl_crystal_density_meas      0.000
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_exptl_crystal_size_max          0.570
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_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
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_refine_ls_hydrogen_treatment    noref
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_refine_ls_number_reflns         1128
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_refine_ls_structure_factor_coef F
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_cod_data_source_file            jo034016usi20030109_101819.cif
_cod_data_source_block           '[O67]_Samach_R-3'
_cod_depositor_comments
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The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 27 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'R -3       '
_cod_database_code               4022398