Asymmetric vinylogous aldol reaction via H-bond-directing dienamine catalysis.
Bastida, David; Liu, Yankai; Tian, Xu; Escudero-Adán, Eduardo; Melchiorre, Paolo; Organic letters 15 (2013) 220–223; doi:10.1021/ol303312p

data_1556141
_publ_section_title
;
 Asymmetric vinylogous aldol reaction via H-bond-directing dienamine
 catalysis.
;
_journal_issue                   1
_journal_name_full               'Organic letters'
_journal_page_first              220
_journal_page_last               223
_journal_paper_doi               10.1021/ol303312p
_journal_volume                  15
_journal_year                    2013
_chemical_absolute_configuration ad
_chemical_formula_sum            'C30 H25 Cl O4'
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
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_cell_length_a                   8.3789(3)
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_diffrn_ambient_temperature      100(2)
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;
 Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support 'magnetic support whith MicroMount'
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_diffrn_source                   'rotating anode X-ray tube'
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_diffrn_source_size              '3 mm x 0.3 mm fine focus'
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_exptl_absorpt_process_details
; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            colourless
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_exptl_crystal_description       block
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.40
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         10513
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_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0574P)^2^+0.1649P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0953
_refine_ls_wR_factor_ref         0.0994
_reflns_number_gt                9453
_reflns_number_total             10513
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol303312p_si_003.cif
_cod_data_source_block           lyk1275-b_0m
_cod_depositor_comments
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The following automatic conversions were performed:

data name '_diffrn_measurement_specimen_suppport' was replaced with
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Automatic conversion script
Id: cif_correct_tags 6909 2019-04-08 15:41:33Z antanas 

The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Orthorhombic' was changed
to 'orthorhombic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
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Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
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_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
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