Aluminum Triflate Catalyzed Tandem Reactions of d-Galactal: Toward Chiral Benzopyrans, Chromenes, and Chromans.
Simelane, Sandile B.; Kinfe, Henok H.; Muller, Alfred; Williams, D Bradley G; Organic letters 16 (2014) 4543–; doi:10.1021/ol502305j

data_1517462
_publ_section_title
;
 Aluminum Triflate Catalyzed Tandem Reactions of d-Galactal: Toward Chiral
 Benzopyrans, Chromenes, and Chromans.
;
_journal_issue                   17
_journal_name_full               'Organic letters'
_journal_page_first              4543
_journal_paper_doi               10.1021/ol502305j
_journal_volume                  16
_journal_year                    2014
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_chemical_formula_sum            'C30 H32 O12'
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_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
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_cell_measurement_theta_max      65.98
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_cell_volume                     2683.70(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
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_diffrn_ambient_temperature      100(2)
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_diffrn_reflns_Laue_measured_fraction_max 0.978
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_diffrn_reflns_limit_l_min       -35
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_refine_ls_abs_structure_details
;
 Flack x determined using 1907 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons and Flack (2004), Acta Cryst. A60, s61).
;
_refine_ls_abs_structure_Flack   0.05(3)
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0251
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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^)+(0.0330P)^2^+0.7007P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_Friedel_fraction_max     0.953
_reflns_number_gt                4552
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           structure5
_cod_depositor_comments
'Adding full bibliography for 1517461--1517464.cif.'
_cod_database_code               1517462
_shelx_estimated_absorpt_t_min   0.756
_shelx_estimated_absorpt_t_max   0.786
_shelxl_version_number           2013-4
_shelx_res_checksum              8938
_shelx_hkl_checksum              75847