1,3-Dipolar cycloaddition of isatin N,N′-cyclic azomethine imines with α,β-unsaturated aldehydes catalyzed by DBU in water
Wang, Zhan-Yong; Yang, Ting; Chen, Rongxiang; Ma, Xueji; Liu, Huan; Wang, Kai-Kai; RSC Advances 10 (2020) 24288–24292; doi:10.1039/D0RA03806G

data_7240781
_publ_section_title
;
 1,3-Dipolar cycloaddition of isatin N,N&#x2032;-cyclic azomethine imines
 with \a,\b-unsaturated aldehydes catalyzed by DBU in water
;
_journal_issue                   41
_journal_name_full               'RSC Advances'
_journal_page_first              24288
_journal_page_last               24292
_journal_paper_doi               10.1039/D0RA03806G
_journal_volume                  10
_journal_year                    2020
_chemical_formula_sum            'C27 H23 N3 O3'
_chemical_formula_weight         437.48
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-05-10 deposited with the CCDC.	2020-06-19 downloaded from the CCDC.
;
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_cell_angle_beta                 98.891(2)
_cell_angle_gamma                90
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_cell_length_b                   9.0183(10)
_cell_length_c                   23.470(3)
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_computing_cell_refinement       'Bruker SMART'
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_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
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_diffrn_measurement_device_type  'CCD area detector'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0601
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_exptl_absorpt_coefficient_mu    0.087
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            COLORLESS
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_exptl_crystal_description       BLOCK
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0611P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_ref         0.1328
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_reflns_number_gt                2189
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ra03806g2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7240781--7240782.cif.'
_cod_original_cell_volume        2218.8(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7240781
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_shelx_res_checksum              60504