N-bromosuccinimide initiated one-pot synthesis of imidazoline.
Zhou, Ling; Zhou, Jing; Tan, Chong Kiat; Chen, Jie; Yeung, Ying-Yeung; Organic letters 13 (2011) 2448–2451; doi:10.1021/ol2006902

data_1502150
_publ_section_title
;
 N-bromosuccinimide initiated one-pot synthesis of imidazoline.
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_journal_issue                   9
_journal_name_full               'Organic letters'
_journal_page_first              2448
_journal_page_last               2451
_journal_paper_doi               10.1021/ol2006902
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C22 H19 N3 O4 S'
_chemical_formula_weight         421.46
_space_group_IT_number           14
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_cell_angle_beta                 101.0810(10)
_cell_angle_gamma                90.00
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_cell_length_a                   9.2012(5)
_cell_length_b                   10.9019(6)
_cell_length_c                   20.4358(11)
_cell_measurement_reflns_used    5399
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.29
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_cell_volume                     2011.71(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
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_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
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_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    0.196
_exptl_absorpt_correction_T_max  0.9328
_exptl_absorpt_correction_T_min  0.8915
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs, (Sheldrick 2001)'
_exptl_crystal_colour            COLOURLESS
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0590P)^2^+0.7075P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1090
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_reflns_number_gt                4093
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol2006902_si_002.cif
_cod_data_source_block           a044
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'Not Measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1502150