A novel self-terminated Prins strategy for the synthesis of tetrahydropyran-4-one derivatives and their behavior in Fisher indole synthesis
Basireddy, Venkata Subba Reddy; Anjum, Rehana S.; Balasubramanian, Sridhar; RSC Adv.  (2016) –; doi:10.1039/C6RA11218H

data_7226139
_publ_section_title
;
 A novel self-terminated Prins strategy for the synthesis of
 tetrahydropyran-4-one derivatives and their behavior in Fisher indole
 synthesis
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA11218H
_journal_year                    2016
_chemical_formula_moiety         'C17 H17 Cl N2 O'
_chemical_formula_sum            'C17 H17 Cl N2 O'
_chemical_formula_weight         300.77
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-12-03 deposited with the CCDC.
2016-08-01 downloaded from the CCDC.
;
_cell_angle_alpha                78.658(8)
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_cell_angle_gamma                79.757(8)
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_cell_measurement_temperature    294(2)
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_cell_measurement_theta_min      2.27
_cell_volume                     766.2(7)
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_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2015)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       \w
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_diffrn_reflns_limit_l_min       -21
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_diffrn_reflns_point_group_measured_fraction_full 0.997
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_exptl_absorpt_correction_type   multi-scan
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_refine_ls_matrix_type           full
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0655P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                1313
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6ra11218h2.cif
_cod_data_source_block           AX87m
_cod_original_cell_volume        766.2(6)
_cod_database_code               7226139
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_shelx_estimated_absorpt_t_min   0.971
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_shelx_res_checksum              13604
_shelx_hkl_checksum              61568