Configurational stability of bis-<i>ortho</i>-methyl Tröger's base: methylene bridge substitution with retention of stereochemistry.
Suresh, Sundaram; Organic & biomolecular chemistry  (2026) –; doi:10.1039/d6ob00250a

data_7161117
_publ_section_title
;
 Configurational stability of bis-<i>ortho</i>-methyl Tr&#xf6;ger's base:
 methylene bridge substitution with retention of stereochemistry.
;
_journal_issue                   17
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              3728
_journal_page_last               3736
_journal_paper_doi               10.1039/d6ob00250a
_journal_volume                  24
_journal_year                    2026
_chemical_absolute_configuration rm
_chemical_formula_sum            'C37 H36 N2 O10'
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_audit_update_record
;
2026-02-09 deposited with the CCDC.	2026-04-09 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
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_diffrn_reflns_limit_h_max       28
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_diffrn_reflns_limit_k_max       24
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_refine_ls_abs_structure_details
;
 Classical Flack method preferred over Parsons because s.u. lower.
;
_refine_ls_abs_structure_Flack   -0.2(4)
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0857P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_refine_ls_wR_factor_gt          0.1692
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_reflns_Friedel_fraction_max     0.576
_reflns_number_gt                3509
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6ob00250a2.cif
_cod_data_source_block           compound4
_cod_depositor_comments          'Adding full bibliography for 7161117.cif.'
_cod_database_code               7161117
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