Catalytic and enantioselective aza-ene and hetero-Diels-Alder reactions of alkenes and dienes with azodicarboxylates.
Aburel, Pompiliu S.; Zhuang, Wei; Hazell, Rita G.; Jørgensen, Karl Anker; Organic & biomolecular chemistry 3 (2005) 2344–2349; doi:10.1039/b503744a

data_7150161
_publ_section_title
;
 Catalytic and enantioselective aza-ene and hetero-Diels-Alder
 reactions of alkenes and dienes with azodicarboxylates.
;
_journal_issue                   12
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              2344
_journal_page_last               2349
_journal_paper_doi               10.1039/b503744a
_journal_volume                  3
_journal_year                    2005
_chemical_formula_moiety         'C12 H14 Cl3 N3 O5'
_chemical_formula_sum            'C12 H14 Cl3 N3 O5'
_chemical_formula_weight         386.61
_chemical_name_systematic
;
N'-Cyclopent-2-enyl-N'-(2-oxo-oxazolidine-3-carbonyl)-
hydrazinecarboxylic acid 2,2,2-tricloro-ethyl ester
;
_space_group_IT_number           61
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_cell_angle_beta                 90.000
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ORTEP-III (Burnett & Johnson, 1996), KRYSTAL
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SIR97 (Altomare et al., 1997 ), KRYSTAL
;
_diffrn_ambient_temperature      120
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_diffrn_measurement_device       'Siemens SMART CCD diffractometer'
_diffrn_measurement_method       '\w rotation scans with narrow frames'
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_diffrn_reflns_limit_l_min       -34
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_diffrn_reflns_theta_max         29.82
_diffrn_reflns_theta_min         2.41
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.600
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_exptl_absorpt_process_details   'XPREP, 1995 '
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       needle
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_refine_diff_density_max         0.95(9)
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_refine_ls_R_factor_gt           0.048
_refine_ls_shift/su_max          0.0060
_refine_ls_shift/su_mean         0.0015
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
w= 1/{[\s~cs~(F^2^)+B+(1+A)F^2^]^1/2^- |F|}^2^
where A = 0.03 and B = 1.00
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.054
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The following automatic conversions were performed:

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Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

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data
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data
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data
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'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 5005 2017-03-03 11:38:54Z antanas 
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_cod_database_code               7150161