The synthesis of indeno[de]isochromene derivatives from arylvinyl epoxides and carbonyl compounds via tandem Nazarov and oxa-Pictet–Spengler cyclizations
Satish, Nagam; Raju, Siruvuri Krishnam; Nanubolu, Jagadeesh Babu; Sudhakar, Gangarajula; New Journal of Chemistry 45 (2021) 16248–16253; doi:10.1039/D1NJ03654H

data_7060903
_publ_section_title
;
 The synthesis of indeno[de]isochromene derivatives from arylvinyl
 epoxides and carbonyl compounds via tandem Nazarov and
 oxa-Pictet--Spengler cyclizations
;
_journal_issue                   35
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              16248
_journal_page_last               16253
_journal_paper_doi               10.1039/D1NJ03654H
_journal_volume                  45
_journal_year                    2021
_chemical_formula_moiety         'C26 H30 O3'
_chemical_formula_sum            'C26 H30 O3'
_chemical_formula_weight         390.50
_chemical_name_common
4,6-dimethoxy-6b,10,10-trimethyl-3-phenyl-3,6b,7,8,9,10-hexahydro-1H-indeno[1,2,3-de]isochromene
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2021-04-12 deposited with the CCDC.	2021-08-04 downloaded from the CCDC.
;
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'Re-crystallisation from solvent: Chloroform and Hexane'
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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-2018/3 (Sheldrick 2018)'
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_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
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_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0672
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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^)+(0.0423P)^2^+1.1262P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1311
_refine_ls_wR_factor_ref         0.1427
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3139
_reflns_number_total             3919
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1nj03654h2.cif
_cod_data_source_block           KA1050_0m
_cod_depositor_comments
'Adding full bibliography for 7060903--7060904.cif.'
_cod_original_cell_volume        2231.7(13)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7060903
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.979
_shelx_estimated_absorpt_t_max   0.990
_shelx_res_checksum              973
_shelx_hkl_checksum              52195