Structure-property relationships to direct the dynamic properties of acylsemicarbazide-based materials.
Maessen, Stefan J. D.; Lekanne Deprez, Siebe; Vermeeren, Pascal; van den Bersselaar, Bart W. L.; Lutz, Martin; Heuts, Johan P. A.; Fonseca Guerra, Célia; Palmans, Anja R. A.; Polymer chemistry 16 (2025) 290–300; doi:10.1039/d4py01296h

data_1573397
_publ_section_title
;
 Structure-property relationships to direct the dynamic properties of
 acylsemicarbazide-based materials.
;
_journal_issue                   3
_journal_name_full               'Polymer chemistry'
_journal_page_first              290
_journal_page_last               300
_journal_paper_doi               10.1039/d4py01296h
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety         'C15 H13 N3 O3'
_chemical_formula_sum            'C15 H13 N3 O3'
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_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   difmap
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_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2024-08-13 deposited with the CCDC.	2024-12-04 downloaded from the CCDC.
;
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_computing_cell_refinement       Peakref
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         27.506
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_diffrn_source                   'sdealed tube'
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_exptl_absorpt_correction_T_max  0.7456
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colourless
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0503
_refine_ls_R_factor_gt           0.0402
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0506P)^2^+0.8158P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1033
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_reflns_number_gt                5233
_reflns_number_total             6410
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4py01296h2.cif
_cod_data_source_block           l1349a
_cod_depositor_comments
'Adding full bibliography for 1573396--1573397.cif.'
_cod_original_cell_volume        2787.70(13)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1573397
_shelx_shelxl_version_number     2019/3
_shelx_res_checksum              87548
_shelx_hkl_checksum              72019