Tandem Prins-type cyclization for the stereoselective construction of fused polycyclic ring systems
Someswarao, B.; P., Rasvan Khan; Reddy, B. Jagan Mohan; B., Sridhar; B., V. Subba Reddy; Organic Chemistry Frontiers 5 (2018) 1320–; doi:10.1039/C7QO01164D

data_1553980
_publ_section_title
;
 Tandem Prins-type cyclization for the stereoselective construction of
 fused polycyclic ring systems
;
_journal_issue                   8
_journal_name_full               'Organic Chemistry Frontiers'
_journal_page_first              1320
_journal_paper_doi               10.1039/C7QO01164D
_journal_volume                  5
_journal_year                    2018
_chemical_formula_moiety         'C14 H15 N O4'
_chemical_formula_sum            'C14 H15 N O4'
_chemical_formula_weight         261.27
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_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-2014/7
_audit_update_record
;
2017-10-06 deposited with the CCDC.
2018-02-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 105.51(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.13(4)
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_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      30.39
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_cell_volume                     1270(6)
_computing_cell_refinement       '<i>SAINT</i> (Bruker, 2016)'
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_computing_structure_solution    '<i>SHELXT</i> (Sheldrick, 2015)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON-100'
_diffrn_measurement_method       '\w and \f'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0683
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_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_exptl_absorpt_coefficient_mu    0.101
_exptl_absorpt_correction_T_max  0.7461
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            colorless
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         3941
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_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.1204
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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^)+(0.0884P)^2^+0.2547P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7qo01164d2.cif
_cod_data_source_block           KA287_0m_a
_cod_original_cell_volume        1270(7)
_cod_original_sg_symbol_H-M      'P 21/c'
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_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.968
_shelx_estimated_absorpt_t_max   0.988
_shelx_res_checksum              53329