Pd-catalyzed [3 + 2] cycloaddition of cyclic ketimines and trimethylenemethanes toward <i>N</i>-fused pyrrolidines bearing a quaternary carbon.
Choi, Seoung-Mi; Kim, Kyeong Do; Park, Jong-Un; Xuan, Zi; Kim, Ju Hyun; RSC advances 12 (2021) 785–789; doi:10.1039/d1ra08579d

data_7244116
_publ_section_title
;
 Pd-catalyzed [3 + 2] cycloaddition of cyclic ketimines and
 trimethylenemethanes toward <i>N</i>-fused pyrrolidines bearing a
 quaternary carbon.
;
_journal_issue                   2
_journal_name_full               'RSC advances'
_journal_page_first              785
_journal_page_last               789
_journal_paper_doi               10.1039/d1ra08579d
_journal_volume                  12
_journal_year                    2021
_chemical_formula_sum            'C18 H17 N O3 S'
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_audit_update_record
;
2021-10-08 deposited with the CCDC.	2021-12-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
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_diffrn_measurement_device_type  'PHOTON III M14'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -13
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_diffrn_source                   'sealed tube'
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_exptl_absorpt_process_details   'SHELXL-2014/7 (Sheldrick, 2014)'
_exptl_crystal_colour            colourless
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
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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^)+(0.0471P)^2^+0.6446P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1055
_refine_ls_wR_factor_ref         0.1113
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3385
_reflns_number_total             3979
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ra08579d2.cif
_cod_data_source_block           CSM-B-93_a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7244116.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7244116
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.915
_shelx_estimated_absorpt_t_max   0.984
_shelx_res_checksum              56894