Highly organocatalytic asymmetric Michael-ketone aldol-dehydration domino reaction: straightforward approach to construct six-membered spirocyclic oxindoles.
Wang, Liang-Liang; Peng, Lin; Bai, Jian-Fei; Huang, Qing-Chun; Xu, Xiao-Ying; Wang, Li-Xin; Chemical communications (Cambridge, England) 46 (2010) 8064–8066; doi:10.1039/c0cc03032e

data_7105645
_publ_section_title
;
 Highly organocatalytic asymmetric Michael-ketone aldol-dehydration domino
 reaction: straightforward approach to construct six-membered spirocyclic
 oxindoles.
;
_journal_issue                   42
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              8064
_journal_page_last               8066
_journal_paper_doi               10.1039/c0cc03032e
_journal_volume                  46
_journal_year                    2010
_chemical_absolute_configuration ad
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_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
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_cell_length_b                   11.1689(17)
_cell_length_c                   13.281(2)
_cell_measurement_reflns_used    6813
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_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      3.07
_cell_volume                     2191.2(6)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      103(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  AFC10/Saturn724+
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_l_min       -16
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_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.07
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
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_exptl_absorpt_coefficient_mu    1.900
_exptl_absorpt_correction_T_max  0.5170
_exptl_absorpt_correction_T_min  0.4707
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             968
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.016(5)
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_refine_ls_number_reflns         5018
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_refine_ls_R_factor_all          0.0380
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0031P)^2^+0.0600P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0418
_refine_ls_wR_factor_ref         0.0427
_reflns_number_gt                4072
_reflns_number_total             5018
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC03032E.TXT
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_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

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

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'Multi-scans' was replaced
with 'multi-scan' value.

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

 Adding full bibliography for 7105645.cif.
;
_cod_original_cell_volume        2191.1(6)
_cod_original_sg_symbol_H-M      P2(1)2(1)2
_cod_database_code               7105645