Designed molecular switches: controlling the conformation of benzamido-diphenylacetylenes.
Jones, Ian M.; Hamilton, Andrew D.; Organic letters 12 (2010) 3651–3653; doi:10.1021/ol101397y

data_1503112
_publ_section_title
;
 Designed molecular switches: controlling the conformation of
 benzamido-diphenylacetylenes.
;
_journal_issue                   16
_journal_name_full               'Organic letters'
_journal_page_first              3651
_journal_page_last               3653
_journal_paper_doi               10.1021/ol101397y
_journal_volume                  12
_journal_year                    2010
_chemical_formula_moiety         'C30 H21 N3 O6 '
_chemical_formula_sum            'C30 H21 N3 O6'
_chemical_formula_weight         519.51
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.768(3)
_cell_angle_beta                 80.817(3)
_cell_angle_gamma                69.691(3)
_cell_formula_units_Z            2
_cell_length_a                   8.2637(11)
_cell_length_b                   12.0452(17)
_cell_length_c                   13.7503(19)
_cell_measurement_reflns_used    9659
_cell_measurement_temperature    223.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1244.7(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      223.3
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_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku SCXmini'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
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_diffrn_reflns_limit_h_max       10
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_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.098
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_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.386
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
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_exptl_crystal_size_max          0.24
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0550P)^2^+0.2235P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_block           '_User-defined'
_cod_original_formula_sum        'C30 H21 N3 O6 '
_cod_database_code               1503112