Occurrence of Chiral Nanostructures Induced by Multiple Hydrogen Bonds.
Xing, Pengyao; Li, Yongxin; Xue, Shixin; Fiona Phua, Soo Zeng; Ding, Chendi; Chen, Hongzhong; Zhao, Yanli; Journal of the American Chemical Society 141 (2019) 9946–9954; doi:10.1021/jacs.9b03502

data_4128296
_publ_section_title
;
 Occurrence of Chiral Nanostructures Induced by Multiple Hydrogen Bonds.
;
_journal_issue                   25
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9946
_journal_page_last               9954
_journal_paper_doi               10.1021/jacs.9b03502
_journal_volume                  141
_journal_year                    2019
_chemical_absolute_configuration unk
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_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
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_cell_length_b                   7.4768(15)
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_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
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_computing_molecular_graphics    'XP (Bruker AXS Inc., 2018)'
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SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
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_exptl_crystal_colour            colourless
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Flack x determined using 406 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   3.2(10)
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0930P)^2^+1.0342P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2033
_refine_ls_wR_factor_ref         0.2466
_reflns_number_gt                1795
_reflns_number_total             3292
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja9b03502_si_004.cif
_cod_data_source_block           zhao289m
_cod_depositor_comments
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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/current/ACS/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 
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_cod_database_code               4128296
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_shelx_hkl_checksum              21501