Cycloaddition of homochiral dihydroimidazoles: a 1,3-dipolar cycloaddition route to optically active pyrrolo[1,2-a]imidazoles.
Jones, Raymond C. F.; Howard, Kevin J.; Snaith, John S.; Blake, Alexander J.; Li, Wang-Shei; Steel, Peter J.; Organic & biomolecular chemistry 9 (2011) 297–306; doi:10.1039/c0ob00529k

data_7153083
_publ_section_title
;
 Cycloaddition of homochiral dihydroimidazoles: a 1,3-dipolar
 cycloaddition route to optically active pyrrolo[1,2-a]imidazoles.
;
_journal_issue                   1
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              297
_journal_page_last               306
_journal_paper_doi               10.1039/c0ob00529k
_journal_volume                  9
_journal_year                    2011
_chemical_formula_moiety         'C26 H32 N2 O4'
_chemical_formula_sum            'C26 H32 N2 O4'
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_atom_sites_solution_primary     direct
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_cell_angle_alpha                90.00
_cell_angle_beta                 103.07(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.276(2)
_cell_length_b                   5.799(3)
_cell_length_c                   20.259(5)
_cell_measurement_reflns_used    34
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_cell_measurement_theta_max      12.5
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_computing_cell_refinement       'Stoe STADI-4 (Stoe & Cie, 1996a)'
_computing_data_collection       'Stoe STADI-4 (Stoe & Cie, 1996a)'
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_computing_structure_solution    'SHELXS-96 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150.0(2)
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_standards_decay_%        'variation +/- 6'
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_refine_ls_abs_structure_Flack   1(4)
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_number_restraints     17
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_refine_ls_restrained_S_obs      1.207
_refine_ls_R_factor_all          0.1226
_refine_ls_R_factor_obs          0.0734
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+2.20P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1465
_refine_ls_wR_factor_obs         0.1170
_reflns_number_observed          1639
_reflns_number_total             2284
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            c0ob00529k.txt
_cod_data_source_block           OU2JSS
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'Yes' changed to 'yes' according to the
built-in table from CIF Core dictionary named 'cif_core.dic' version
2.4.1 from 2010-06-29 (23 times).

'_geom_angle_publ_flag' value
'Yes' changed to 'yes' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (39
times).

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

 Adding full bibliography for 7153082--7153084.cif.

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w=1/[\s^2^(Fo^2^)+2.20P]
where P=(Fo^2^+2Fc^2^)/3' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w=1/[\s^2^(Fo^2^)+2.20P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               7153083