1,3,5-Tris[3-(2,6,6-triméthyl-1-cyclohexen-1-yl)acryloyle]benzène
Ginderow, Daria; Valla, Alain; Andriamialisoa, Zo; Giraud, Michel; Acta Crystallographica Section C 50 (1994) 574–576; doi:10.1107/S010827019301145X

data_2009612
_publ_section_title
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 1,3,5-Tris[3-(2,6,6-trim\'ethyl-1-cyclohexen-1-yl)acryloyle]benz\`ene
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              574
_journal_page_last               576
_journal_paper_doi               10.1107/S010827019301145X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C42 H54 O3'
_chemical_formula_sum            'C42 H54 O3'
_chemical_formula_weight         606.89
_chemical_name_systematic
;
1,3,5-Tris[3-(2,6,6-trim\'ethyl-1-cyclohexen-1-yl)acryloyle]benz\`ene
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source
'IntTabIV (C, O); Stewart, Davidson & Simpson (1965) (H)'
_cell_angle_alpha                109.77(4)
_cell_angle_beta                 104.77(4)
_cell_angle_gamma                96.42(4)
_cell_formula_units_Z            2
_cell_length_a                   12.509(5)
_cell_length_b                   13.139(5)
_cell_length_c                   12.197(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      13.05
_cell_measurement_theta_min      9.17
_cell_volume                     1780.4(14)
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'diffractom\`etre Philips PW1100'
_diffrn_measurement_method       'flying stepscan (Logiciel Philips)'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'tube \`a rayons X'
_diffrn_radiation_type           'radiation: Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6379
_diffrn_reflns_theta_max         65.04
_diffrn_reflns_theta_min         3.66
_diffrn_standards_decay_%        <2.6
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.50
_exptl_absorpt_correction_type   'pas de correction d'absorption'
_exptl_crystal_colour            jaune
_exptl_crystal_density_diffrn    1.132
_exptl_crystal_description       prismatique
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.281
_refine_diff_density_min         -0.201
_refine_ls_extinction_method     non
_refine_ls_goodness_of_fit_obs   3.892
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           compl\`ete
_refine_ls_number_constraints    0
_refine_ls_number_parameters     406
_refine_ls_number_reflns         3474
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.066
_refine_ls_shift/esd_max         0.070
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.063
_reflns_number_observed          3474
_reflns_number_total             6060
_reflns_observed_criterion
'F > 6,0\s(F) et 0,053 < sin\q/\l < 0,540\%A^-1^'
_cod_data_source_file            du1065.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1' was changed to 'unit'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        1780.43
_cod_database_code               2009612