Synthesis of all-L cyclic tetrapeptides using pseudoprolines as removable turn inducers.
Fairweather, Kelly A.; Sayyadi, Nima; Luck, Ian J.; Clegg, Jack K.; Jolliffe, Katrina A.; Organic letters 12 (2010) 3136–3139; doi:10.1021/ol101018w

data_1503030
_publ_section_title
;
 Synthesis of all-L cyclic tetrapeptides using pseudoprolines as removable
 turn inducers.
;
_journal_issue                   14
_journal_name_full               'Organic letters'
_journal_page_first              3136
_journal_page_last               3139
_journal_paper_doi               10.1021/ol101018w
_journal_volume                  12
_journal_year                    2010
_chemical_absolute_configuration syn
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 ? 
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_computing_data_reduction
'SAINT (Bruker-Nonius, 2003), XPREP (Bruker-Nonius, 2003)'
_computing_molecular_graphics
;ORTEP-3 (Farrugia, 1997)
WINGX-32 (Farrugia, 1999) 
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_computing_publication_material  'enCIFer 1.1 (CCDC, 2005)'
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_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  APEXII-FR591
_diffrn_measurement_method       \w+\f
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_theta_min         1.82
_diffrn_standards_decay_%        0
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_exptl_crystal_colour            colourless
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_exptl_crystal_description       block
_exptl_crystal_F_000             2526
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_refine_ls_abs_structure_details
'Flack H D (1983), Acta Cryst. A39, 876-881, 5182 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.01(12)
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         7182
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_refine_ls_R_factor_all          0.0641
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0875P)^2^+0.9003P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1462
_refine_ls_wR_factor_ref         0.1523
_reflns_number_gt                5986
_reflns_number_total             7182
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol101018w_si_002.cif
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_cod_depositor_comments
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The following automatic conversions were performed:
data name '_symmetry_intl_tables_number' replaced with
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'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 4998 2017-03-02 13:24:31Z antanas 
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_cod_original_cell_volume        6527.4(3)
_cod_original_sg_symbol_Hall     'P 31 2" '
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_cod_database_code               1503030