Regio- and chemo-selective cyclization of allenic-Ugi products for the synthesis of 3-pyrroline skeletons.
Amiri, Kamran; Khosravi, Hormoz; Balalaie, Saeed; Golmohammadi, Farhad; Anwar, Muhammad U.; Al-Harrasi, Ahmed; Organic & biomolecular chemistry 17 (2019) 8858–8870; doi:10.1039/c9ob01963d

data_7157084
_publ_section_title
;
 Regio- and chemo-selective cyclization of allenic-Ugi products for the
 synthesis of 3-pyrroline skeletons.
;
_journal_issue                   39
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              8858
_journal_page_last               8870
_journal_paper_doi               10.1039/c9ob01963d
_journal_volume                  17
_journal_year                    2019
_chemical_formula_moiety         'C23 H26 N2 O2'
_chemical_formula_sum            'C23 H26 N2 O2'
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_space_group_name_Hall           '-P 2yn'
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_symmetry_space_group_name_Hall  '-P 2yn'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2019-03-19 deposited with the CCDC.    2019-09-18 downloaded from the CCDC.
;
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_cell_volume                     2053.3(3)
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_goodness_of_fit_ref   1.067
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_refine_ls_number_reflns         4207
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0875
_refine_ls_R_factor_gt           0.0588
_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^)+(0.0741P)^2^+1.3337P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1456
_refine_ls_wR_factor_ref         0.1773
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3062
_reflns_number_total             4207
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           KAH11_T1_1_glassrod_0m_a
_cod_depositor_comments
'Adding full bibliography for 7157084--7157085.cif.'
_cod_database_code               7157084
_shelx_shelxl_version_number     2016/6
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