Regio- and diastereoselective synthesis of cyclobutylated phenothiazines <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated cycloreversion inside live cells.
Sharangi, Sanhati; Chakraborty, Barsha; Jha, Raushan Kumar; Mandal, Swarnadeep; Koner, Apurba Lal; Kumar, Sangit; Chemical science 16 (2025) 709–720; doi:10.1039/d4sc07817a

data_1573458
_publ_section_title
;
 Regio- and diastereoselective synthesis of cyclobutylated phenothiazines
 <i>via</i> [2 + 2] photocycloaddition: demonstrating wavelength-gated
 cycloreversion inside live cells.
;
_journal_issue                   2
_journal_name_full               'Chemical science'
_journal_page_first              709
_journal_page_last               720
_journal_paper_doi               10.1039/d4sc07817a
_journal_volume                  16
_journal_year                    2025
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-02-13 deposited with the CCDC.	2024-12-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.133(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
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_cell_length_c                   21.9850(14)
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_cell_measurement_theta_min      2.38
_cell_volume                     3516.8(4)
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_diffrn_ambient_temperature      139(2)
_diffrn_measured_fraction_theta_full 0.998
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_exptl_crystal_description       BLOCK
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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^)+(0.0662P)^2^+0.8443P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1164
_refine_ls_wR_factor_ref         0.1310
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7907
_reflns_number_total             10722
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4sc07817a4.cif
_cod_data_source_block           2a
_cod_depositor_comments
;
Adding full bibliography for 1573456--1573463.cif.

2025-06-02
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C48 H34 N2 O2 S2'
_cod_original_formula_weight         734.89
_cod_original_formula_moiety         'C48 H34 N2 O2 S2'
_cod_original_formula_units_Z            4
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1573458
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              1778
_shelx_hkl_checksum              24735