On the mechanism of the dyotropic expansion of hydrindanes into decalins.
Santalla, Hugo; Nieto Faza, Olalla; Gómez, Generosa; Fall, Yagamare; López, Carlos Silva; Organic & biomolecular chemistry 20 (2022) 1073–1079; doi:10.1039/d1ob02150h

data_7158480
_publ_section_title
;
 On the mechanism of the dyotropic expansion of hydrindanes into decalins.
;
_journal_issue                   5
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              1073
_journal_page_last               1079
_journal_paper_doi               10.1039/d1ob02150h
_journal_volume                  20
_journal_year                    2022
_chemical_absolute_configuration ad
_chemical_formula_sum            'C22 H36 O4 S'
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_audit_update_record
;
2020-04-21 deposited with the CCDC.	2022-01-07 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SAINT'
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; 
 Flack x determined using 2907 quotients [(I+)-(I-)]/[(I+)+(I-)] 
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259). 
;
_refine_ls_abs_structure_Flack   -0.020(11)
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0993P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1318
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_reflns_Friedel_coverage         0.761
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_reflns_number_gt                7157
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'Adding full bibliography for 7158480--7158482.cif.'
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_shelx_estimated_absorpt_t_min   0.787
_shelx_estimated_absorpt_t_max   0.953
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