Stabilization of optically inactive α-helices of peptidic foldamers through sequence control and <i>i</i>, <i>i</i> + 4 stapling.
Ousaka, Naoki; MacLachlan, Mark J.; Akine, Shigehisa; Fujikawa, Shigenori; Organic & biomolecular chemistry 23 (2025) 3366–3371; doi:10.1039/d5ob00244c

data_7160401
_publ_section_title
;
 Stabilization of optically inactive &#x3b1;-helices of peptidic foldamers
 through sequence control and <i>i</i>, <i>i</i> + 4 stapling.
;
_journal_issue                   14
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              3366
_journal_page_last               3371
_journal_paper_doi               10.1039/d5ob00244c
_journal_volume                  23
_journal_year                    2025
_chemical_formula_moiety         C82H123.30Cl1.20N14.70O14
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_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2025-02-03 deposited with the CCDC.	2025-03-05 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker D8 goniometer'
_diffrn_measurement_method       'phi and omega scans'
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_exptl_crystal_colour            colorless
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_exptl_crystal_description       prismatic
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_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: acetonitril/dichloromethane'
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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^)+(0.1571P)^2^+4.2059P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2323
_refine_ls_wR_factor_ref         0.2790
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18313
_reflns_number_total             30808
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5ob00244c2.cif
_cod_data_source_block           ousaka001
_cod_depositor_comments          'Adding full bibliography for 7160401.cif.'
_cod_original_formula_sum        'C82 H123.30 Cl1.20 N14.70 O14'
_cod_database_code               7160401
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.841
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_shelx_res_checksum              7429