A Stereospecific Total Synthesis of dl-Hexahydroapoerysopine
Fang, Da-Shu; Deng, Jun; Zheng, Jianfeng; Li, Wei-Dong Z.; Chemical Communications  (2022) –; doi:10.1039/D2CC01892F

data_7130059
_publ_section_title
;
 A Stereospecific Total Synthesis of dl-Hexahydroapoerysopine
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC01892F
_journal_year                    2022
_chemical_formula_sum            'C18 H19 N O4'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2021-10-14 deposited with the CCDC.	2022-05-05 downloaded from the CCDC.
;
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_cell_measurement_temperature    293(2)
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_reflns_limit_l_min       -12
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_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
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_diffrn_reflns_theta_min         3.309
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_refine_diff_density_min         -0.226
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3071
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_refine_ls_restrained_S_all      1.041
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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^)+(0.0427P)^2^+0.7603P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1090
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_cell_volume        1504.21(12)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7130059
_shelx_shelxl_version_number     2014/7
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_shelx_hkl_checksum              64200