An intramolecular [2 + 2] photocycloaddition approach to conformationally restricted bis-pyrrolidines.
Fort, Diego A.; Woltering, Thomas J.; Alker, André M; Bach, Thorsten; The Journal of organic chemistry 79 (2014) 7152–7161; doi:10.1021/jo501302f

data_4029815
_publ_section_title
;
 An intramolecular [2 + 2] photocycloaddition approach to conformationally
 restricted bis-pyrrolidines.
;
_journal_issue                   15
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              7152
_journal_page_last               7161
_journal_paper_doi               10.1021/jo501302f
_journal_volume                  79
_journal_year                    2014
_chemical_formula_sum            'C20 H26 F2 N2 O2'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_length_b                   11.955(2)
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_cell_measurement_temperature    103(2)
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_computing_cell_refinement       XDS
_computing_data_collection       PILATUS
_computing_data_reduction        XDS
_computing_molecular_graphics    XSHELL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      103(2)
_diffrn_detector_area_resol_mean 0.80
_diffrn_measured_fraction_theta_full 0.913
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_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       Rotation
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_diffrn_radiation_type           Synchrotron
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_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_limit_l_min       -17
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_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    0.099
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             388
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.314
_refine_diff_density_min         -0.188
_refine_diff_density_rms         0.041
_refine_ls_extinction_coef       0.084(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     239
_refine_ls_number_reflns         3436
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0338
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0408P)^2^+0.3741P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0866
_refine_ls_wR_factor_ref         0.0871
_reflns_number_gt                3328
_reflns_number_total             3436
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo501302f_si_004.cif
_cod_data_source_block           x2859sls
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4029813--4029815.cif.
;
_cod_original_cell_volume        918.0(3)
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               4029815