Non-conjugated alkyl chain engineering to tune condensed state photophysical and supramolecular assembly properties.
Meher, Niranjan; Khatun, Mst Nasima; Parui, Retwik; Iyer, Parameswar Krishnan; Nanoscale 17 (2025) 6685–6694; doi:10.1039/d5nr00163c

data_1573859
_publ_section_title
;
 Non-conjugated alkyl chain engineering to tune condensed state
 photophysical and supramolecular assembly properties.
;
_journal_issue                   11
_journal_name_full               Nanoscale
_journal_page_first              6685
_journal_page_last               6694
_journal_paper_doi               10.1039/d5nr00163c
_journal_volume                  17
_journal_year                    2025
_chemical_formula_sum            'C12 H7 N O2'
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_audit_update_record
;
2024-07-30 deposited with the CCDC.	2025-02-06 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_point_group_measured_fraction_full 0.992
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_diffrn_reflns_theta_max         24.992
_diffrn_reflns_theta_min         3.917
_exptl_absorpt_coefficient_mu    0.103
_exptl_crystal_colour            colourless
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_exptl_crystal_description       Needle
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_refine_diff_density_max         0.167
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_refine_diff_density_rms         0.034
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         1541
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.406
_refine_ls_R_factor_all          0.0460
_refine_ls_R_factor_gt           0.0394
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1405
_refine_ls_wR_factor_ref         0.1625
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1337
_reflns_number_total             1541
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5nr00163c2.cif
_cod_data_source_block           PKI_RP_0m_a
_cod_depositor_comments
'Adding full bibliography for 1573856--1573862.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1573859
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              7611
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