Synthesis and aromatisation of cyclic enediyne-containing amino acids
Kaiser, Jasper; van Esseveldt, Bart C. J.; Segers, Margot J. A.; van Delft, Floris L.; Smits, Jan M. M.; Butterworth, Sam; Rutjes, Floris P. J. T.; Organic & Biomolecular Chemistry 7 (2009) 695–705; doi:10.1039/b815176h

data_7150547
_publ_section_title
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 Synthesis and aromatisation of cyclic enediyne-containing amino acids
;
_journal_issue                   4
_journal_name_full               'Organic &amp; Biomolecular Chemistry'
_journal_page_first              695
_journal_page_last               705
_journal_paper_doi               10.1039/b815176h
_journal_volume                  7
_journal_year                    2009
_chemical_formula_sum            'C20 H21 N O4 S'
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_cell_formula_units_Z            8
_cell_length_a                   8.6566(7)
_cell_length_b                   12.0779(8)
_cell_length_c                   35.500(3)
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_cell_measurement_temperature    208(2)
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_cell_volume                     3711.7(5)
_computing_data_collection
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Nonius "Collect" program suite (Nonius, 1999)
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_computing_data_reduction
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Nonius "EvalCCD" program suite (Duisenberg, 1998)
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_computing_molecular_graphics
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PLATON (Spek, 2003)
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
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DIRDIF (Beurskens et al., 1996),
PATTY (Beurskens et al., 1987)
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_diffrn_ambient_temperature      208(2)
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_diffrn_measurement_device       'Nonius KappaCCD'
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_refine_ls_structure_factor_coef Fsqd
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;
w=1/[\s^2^(Fo^2^)+(0.0404P)^2^+5.6577P] where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1452
_reflns_number_gt                1648
_reflns_number_observed          1648
_reflns_number_total             2279
_reflns_observed_criterion       >2sigma(I)
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_cod_data_source_file            b815176h.txt
_cod_data_source_block           JK56
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_angle_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (42
times).

'_geom_bond_publ_flag' value 'Y' changed to 'y' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (31 time).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7150547