The role of free space in photochemical reactions in crystals at high pressure – the case of 9-methylanthracene
Bakowicz, Julia; Turowska-Tyrk, Ilona; Acta Crystallographica Section B 78 (2022) –; doi:10.1107/S2052520622001810

data_2108951
_publ_section_title
;
 The role of free space in photochemical reactions in crystals at high
 pressure -- the case of 9-methylanthracene
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2052520622001810
_journal_volume                  78
_journal_year                    2022
_chemical_formula_sum            'C15 H12'
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_space_group_name_Hall           '-P 2ybc'
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_diffrn_measurement_device_type  'KM4 with Eos CCD'
_diffrn_measurement_method       '\f- and \w scans'
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_exptl_absorpt_correction_T_min  0.17
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_exptl_absorpt_process_details
;
SCALE3 ABSPACK (Rigaku Oxford Diffraction, 2015).
;
_exptl_crystal_colour            colourless
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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^)+(0.0570P)^2^+0.6265P] 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           0.4GPa_0hUV
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2108951
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.984
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_shelx_hkl_checksum              33626
_cod_database_fobs_code 2108951