Asymmetric synthesis of alpha-(1-oxoisoindolin-3-yl)glycine: synthetic and mechanistic challenges
Tingting Li; Shengbin Zhou; Jiang Wang; Jose Luis Acena; Vadim A. Soloshonok; Hong Liu; Chem.Commun. 51 (2015) 1624–; doi:10.1039/C4cc05659K

data_7116411
_publ_section_title
;
 Asymmetric synthesis of alpha-(1-oxoisoindolin-3-yl)glycine: synthetic
 and mechanistic challenges
;
_journal_name_full               Chem.Commun.
_journal_page_first              1624
_journal_paper_doi               10.1039/C4cc05659K
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C36 H34 N4 Ni O5'
_chemical_formula_weight         661.38
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
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_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2014-10-27 deposited with the CCDC.
2014-12-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.288(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_c                   15.8569(11)
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_cell_measurement_theta_min      4.453
_cell_volume                     3161.7(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0423
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_refine_ls_R_factor_all          0.0563
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0502P)^2^+0.7769P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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