Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt
Rajput, Lalit; Crystal Growth & Design 14 (2014) 5196–; doi:10.1021/cg500982u

data_4511912
_publ_section_title
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 Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate
 Salt
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_journal_issue                   10
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              5196
_journal_paper_doi               10.1021/cg500982u
_journal_volume                  14
_journal_year                    2014
_chemical_formula_sum            'C27 H29 Cl F N O5 S'
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_cell_length_b                   16.485(4)
_cell_length_c                   19.142(4)
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
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_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  Rigaku
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_diffrn_reflns_theta_max         27.48
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_exptl_absorpt_coefficient_mu    0.274
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.547
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0684P)^2^+0.0137P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                4383
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_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            cg500982u_si_002.cif
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_cod_depositor_comments
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The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4511904--4511913.cif.
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_cod_original_cell_volume        2582.6(10)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4511912