Self-sorting in dynamic disulfide assembly: new biphenyl-bridged “nanohoops” and unsymmetrical cyclophanes
Phan, Ngoc-Minh; Choy, Emma P. K. L.; Zakharov, Lev N.; Johnson, Darren W.; Chemical Communications  (2019) –; doi:10.1039/C9CC06503B

data_7124163
_publ_section_title
;
 Self-sorting in dynamic disulfide assembly: new biphenyl-bridged
 &#x201C;nanohoops&#x201D; and unsymmetrical cyclophanes
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC06503B
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_symmetry_space_group_name_Hall  '-P 2ybc'
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_audit_update_record
;
2018-12-09 deposited with the CCDC.    2019-09-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0971P)^2^+1.3925P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1558
_refine_ls_wR_factor_ref         0.1681
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6054
_reflns_number_total             7416
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9cc06503b2.cif
_cod_data_source_block           dwj239a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               7124163
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.735
_shelx_estimated_absorpt_t_max   0.977
_shelx_res_checksum              59609