Diels-Alder trapping of in situ generated dienes from 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.
Mohan Raj, Radhakrishnan; Balasubramanian, Kalpattu K.; Easwaramoorthy, Deivanayagam; Organic & biomolecular chemistry 15 (2017) 1115–1121; doi:10.1039/c6ob02006b

data_7155434
_publ_section_title
;
 Diels-Alder trapping of in situ generated dienes from
 3,4-dihydro-2H-pyran with p-quinone catalysed by p-toluenesulfonic acid.
;
_journal_issue                   5
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              1115
_journal_page_last               1121
_journal_paper_doi               10.1039/c6ob02006b
_journal_volume                  15
_journal_year                    2017
_chemical_absolute_configuration unk
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_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_space_group_name_Hall  'P 2yb'
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_audit_update_record
;
2016-12-22 deposited with the CCDC.
2017-01-05 downloaded from the CCDC.
;
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_cell_measurement_theta_min      1.687
_cell_volume                     1047.8(9)
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type
'Bruker SMART APEXII area-detector diffractometer'
_diffrn_measurement_method       '\w and \f scans'
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_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_theta_full        25.242
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_exptl_crystal_description       block
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_refine_ls_abs_structure_details
;
 Flack x determined using 1105 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.6(6)
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         4622
_refine_ls_number_restraints     104
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_refine_ls_R_factor_all          0.0809
_refine_ls_R_factor_gt           0.0591
_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^)+(0.1221P)^2^+0.0281P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1732
_refine_ls_wR_factor_ref         0.1932
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_reflns_Friedel_fraction_max     0.810
_reflns_number_gt                3363
_reflns_number_total             4622
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7155432--7155435.cif.'
_cod_database_code               7155434
_shelx_shelxl_version_number     2016/4
_shelx_estimated_absorpt_t_min   0.971
_shelx_estimated_absorpt_t_max   0.975
_shelx_res_checksum              74360