Rh(II)-Catalyzed Chemoselective Oxidative Amination and Cyclization Cascade of 1-(Arylethynyl)cycloalkyl)methyl Sulfamates.
Pan, Dong; Wei, Yin; Shi, Min; Organic letters 19 (2017) 3584–3587; doi:10.1021/acs.orglett.7b01558

data_1546423
_publ_section_title
;
 Rh(II)-Catalyzed Chemoselective Oxidative Amination and Cyclization
 Cascade of 1-(Arylethynyl)cycloalkyl)methyl Sulfamates.
;
_journal_issue                   13
_journal_name_full               'Organic letters'
_journal_page_first              3584
_journal_page_last               3587
_journal_paper_doi               10.1021/acs.orglett.7b01558
_journal_volume                  19
_journal_year                    2017
_chemical_absolute_configuration ad
_chemical_formula_sum            'C13 H13 N O3 S'
_chemical_formula_weight         263.30
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_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
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_cell_angle_gamma                90
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_cell_length_a                   5.4587(10)
_cell_length_b                   9.1326(16)
_cell_length_c                   24.374(4)
_cell_measurement_reflns_used    2208
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      47.493
_cell_measurement_theta_min      4.263
_cell_volume                     1215.1(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
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_diffrn_measured_fraction_theta_max 1.000
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_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0360
_diffrn_reflns_av_unetI/netI     0.0353
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_k_min       -11
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_exptl_absorpt_correction_type   multi-scan
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_refine_ls_abs_structure_details
; 
 Flack x determined using 757 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons and Flack (2004), Acta Cryst. A60, s61). 
;
_refine_ls_abs_structure_Flack   0.13(5)
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0645
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1058P)^2^+0.6894P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_fraction_max     1.000
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_cod_depositor_comments
'Adding full bibliography for 1546422--1546423.cif.'
_cod_database_code               1546423
_shelx_estimated_absorpt_t_min   0.949
_shelx_estimated_absorpt_t_max   0.969
_shelxl_version_number           2013-4
_shelx_res_checksum              86848
_shelx_hkl_checksum              78579