Regioselective and Diastereoselective Aminoarylation of 1,3-Dienes.
Bao, Hongli; Bayeh, Liela; Tambar, Uttam K.; Chemical science (Royal Society of Chemistry : 2010) 5 (2014) 4863–4867; doi:10.1039/C4SC01152J

data_1517493
_publ_section_title
;
 Regioselective and Diastereoselective Aminoarylation of 1,3-Dienes.
;
_journal_issue                   12
_journal_name_full
'Chemical science (Royal Society of Chemistry : 2010)'
_journal_page_first              4863
_journal_page_last               4867
_journal_paper_doi               10.1039/C4SC01152J
_journal_volume                  5
_journal_year                    2014
_chemical_formula_moiety         'C18 H19 N O2 S'
_chemical_formula_sum            'C18 H19 N O2 S'
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
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'CrysAlisPro V 1.171.37.31, Agilent Technologies'
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'CrysAlisPro V 1.171.37.31, Agilent Technologies'
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'CrysAlisPro V 1.171.37.31, Agilent Technologies'
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_computing_structure_solution
;

SUPERFLIP.  Palatinus, L. and Chapuis, G., J. Appl. Cryst. 40, 786-790.
;
_diffrn_ambient_temperature      133(2)
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_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Agilent SuperNova, Dual, AtlasS2'
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_diffrn_radiation_wavelength     1.54184
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_diffrn_reflns_av_unetI/netI     0.0272
_diffrn_reflns_Laue_measured_fraction_full 0.992
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_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        67.684
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_diffrn_reflns_theta_min         3.740
_diffrn_source                   'sealed microfocus tube'
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_exptl_absorpt_correction_T_min  0.791
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;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.31 (release 14-01-2014 CrysAlis171 .NET)
(compiled Jan 14 2014,18:38:05)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_description       needle
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_refine_ls_R_factor_all          0.0572
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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^)+(0.0802P)^2^+0.9019P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1409
_refine_ls_wR_factor_ref         0.1469
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2751
_reflns_number_total             3063
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4sc01152j2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;Adding full bibliography for 1517493.cif.

 Adding full bibliography for 1517493.cif.
;
_cod_database_code               1517493
_shelx_estimated_absorpt_t_min   0.693
_shelx_estimated_absorpt_t_max   0.912
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