A silver(I) triflate-catalyzed reaction of 1-((cyclopropylidenemethyl)-2-alkynyl)arene with 2-alkynylbenzaldoxime
Jie Sheng; Congbin Fan; Yechun Ding; Xiaona Fan; Jie Wu; Chem.Commun. 50 (2014) 4188–; doi:10.1039/C4CC00691G

data_7112231
_publ_section_title
;
 A silver(I) triflate-catalyzed reaction of
 1-((cyclopropylidenemethyl)-2-alkynyl)arene with 2-alkynylbenzaldoxime
;
_journal_name_full               Chem.Commun.
_journal_page_first              4188
_journal_paper_doi               10.1039/C4CC00691G
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C33 H25 N O'
_chemical_formula_weight         451.53
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
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_cell_angle_beta                 72.684(7)
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_cell_length_b                   11.379(5)
_cell_length_c                   12.774(6)
_cell_measurement_reflns_used    699
_cell_measurement_temperature    293(2)
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_cell_measurement_theta_min      2.384
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_computing_molecular_graphics    'Bruker SHELXTL'
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_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'CCD area detector'
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; 
 w=1/[\s^2^(Fo^2^)+(0.0406P)^2^-0.1400P] 
 where P=(Fo^2^+2Fc^2^)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0942
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4cc00691g2.cif
_cod_data_source_block           a30604a
_cod_depositor_comments
;

2018-02-03
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_cell_volume        1227.2(9)
_cod_original_formula_sum        'C11 H8.33 N0.33 O0.33'
_cod_original_formula_units_Z    6
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_cod_database_code               7112231
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_shelxl_version_number           2013-2
_shelx_res_checksum              73096
_shelx_hkl_checksum              82170