Tailoring liquid crystalline self-assembly and de Vries behavior of azulenes <i>via</i> lateral and core substitution.
Schulz, Finn; Lutz, Bettina; Rück, Daniel; Batman, Derman; Frey, Wolfgang; Laschat, Sabine; Soft matter 19 (2023) 2397–2406; doi:10.1039/d3sm00205e

data_1568657
_publ_section_title
;
 Tailoring liquid crystalline self-assembly and de Vries behavior of
 azulenes <i>via</i> lateral and core substitution.
;
_journal_issue                   13
_journal_name_full               'Soft matter'
_journal_page_first              2397
_journal_page_last               2406
_journal_paper_doi               10.1039/d3sm00205e
_journal_volume                  19
_journal_year                    2023
_chemical_formula_moiety         'C41 H59 N O S'
_chemical_formula_sum            'C41 H59 N O S'
_chemical_formula_weight         613.95
_chemical_name_systematic        'compound 12S-AzCN-PhO12'
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
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_atom_sites_solution_secondary   difmap
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_audit_update_record
;
2023-02-15 deposited with the CCDC.	2023-03-12 downloaded from the CCDC.
;
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_cell_measurement_temperature    140(2)
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_diffrn_measurement_device_type  'Bruker Kappa APEXII Duo'
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_exptl_absorpt_process_details   'Blessing, 1995'
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_exptl_crystal_size_mid          0.260
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_refine_ls_extinction_method     none
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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^)+(0.0634P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           s2822lm
_cod_depositor_comments
'Adding full bibliography for 1568655--1568657.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1568657
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              58161
_shelx_hkl_checksum              39919